MOLPRO Basis Query, element=Se, basis=aug-cc-pVQZ-X2C, l=s
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho
Basis Se s aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 15011000.000000 | 0.000115 | -0.000037 | 0.000015 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2247500.000000 | 0.000306 | -0.000099 | 0.000039 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 511450.000000 | 0.000800 | -0.000259 | 0.000102 | -0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144870.000000 | 0.001961 | -0.000636 | 0.000251 | -0.000074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47261.000000 | 0.004805 | -0.001565 | 0.000619 | -0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17062.000000 | 0.011709 | -0.003840 | 0.001520 | -0.000446 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6654.500000 | 0.028255 | -0.009397 | 0.003728 | -0.001096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2759.800000 | 0.065757 | -0.022495 | 0.008949 | -0.002624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1203.200000 | 0.141013 | -0.051143 | 0.020527 | -0.006054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 546.530000 | 0.256114 | -0.104492 | 0.042541 | -0.012494 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 256.630000 | 0.339055 | -0.173973 | 0.073333 | -0.021853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 123.140000 | 0.250611 | -0.176407 | 0.078159 | -0.023035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 58.263000 | 0.062545 | 0.067702 | -0.035026 | 0.009895 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.023000 | -0.000317 | 0.504344 | -0.332601 | 0.107516 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.465000 | 0.001593 | 0.484871 | -0.464956 | 0.152329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.934800 | -0.000767 | 0.106203 | 0.097740 | -0.034626 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.329900 | 0.000327 | 0.001862 | 0.724890 | -0.346226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.560000 | -0.000153 | 0.001641 | 0.434586 | -0.362941 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.492910 | 0.000062 | -0.000354 | 0.023939 | 0.374756 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235250 | -0.000037 | 0.000180 | -0.005200 | 0.641522 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100370 | 0.000010 | -0.000055 | 0.001242 | 0.233559 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Undefined converted by Pytho