MOLPRO Basis Query, element=Mn, basis=V5Z-DK, l=s
Basis Mn s V5Z-DK
| Primitives | Contractions... |
|---|
| 137766000.000000 | 0.000009 | -0.000004 | 0.000001 | -0.000000 | -0.000000 | -0.000001 | 0.000001 | -0.000001 | 0.000000 |
| 24564000.000000 | 0.000022 | -0.000011 | 0.000003 | -0.000001 | -0.000001 | -0.000002 | 0.000002 | -0.000003 | 0.000000 |
| 5479990.000000 | 0.000063 | -0.000030 | 0.000007 | -0.000002 | -0.000003 | -0.000005 | 0.000007 | -0.000008 | 0.000000 |
| 1466640.000000 | 0.000149 | -0.000071 | 0.000017 | -0.000004 | -0.000008 | -0.000012 | 0.000015 | -0.000018 | 0.000000 |
| 454421.000000 | 0.000334 | -0.000160 | 0.000039 | -0.000009 | -0.000018 | -0.000027 | 0.000035 | -0.000041 | 0.000000 |
| 158216.000000 | 0.000711 | -0.000340 | 0.000083 | -0.000019 | -0.000038 | -0.000058 | 0.000075 | -0.000089 | 0.000000 |
| 60404.300000 | 0.001491 | -0.000714 | 0.000174 | -0.000039 | -0.000080 | -0.000124 | 0.000153 | -0.000182 | 0.000000 |
| 24793.600000 | 0.003125 | -0.001501 | 0.000367 | -0.000082 | -0.000165 | -0.000255 | 0.000336 | -0.000398 | 0.000000 |
| 10772.300000 | 0.006656 | -0.003208 | 0.000787 | -0.000175 | -0.000362 | -0.000562 | 0.000674 | -0.000803 | 0.000000 |
| 4895.540000 | 0.014381 | -0.006977 | 0.001719 | -0.000383 | -0.000766 | -0.001182 | 0.001609 | -0.001902 | 0.000000 |
| 2306.560000 | 0.031062 | -0.015251 | 0.003781 | -0.000843 | -0.001755 | -0.002735 | 0.003159 | -0.003779 | 0.000000 |
| 1119.560000 | 0.064860 | -0.032572 | 0.008194 | -0.001827 | -0.003621 | -0.005582 | 0.007873 | -0.009308 | 0.000000 |
| 557.381000 | 0.125006 | -0.065557 | 0.016884 | -0.003768 | -0.007933 | -0.012399 | 0.013732 | -0.016541 | 0.000000 |
| 283.778000 | 0.208310 | -0.118700 | 0.032030 | -0.007152 | -0.013973 | -0.021528 | 0.032276 | -0.038217 | 0.000000 |
| 147.436000 | 0.269526 | -0.179952 | 0.052278 | -0.011709 | -0.025366 | -0.040031 | 0.039761 | -0.048874 | 0.000000 |
| 78.022700 | 0.225481 | -0.195112 | 0.063295 | -0.014211 | -0.025840 | -0.039518 | 0.077064 | -0.091283 | 0.000000 |
| 41.967900 | 0.098198 | -0.082173 | 0.027301 | -0.006206 | -0.019891 | -0.033573 | -0.012142 | 0.008491 | 0.000000 |
| 22.877800 | 0.043636 | 0.180862 | -0.087177 | 0.020005 | 0.055877 | 0.093169 | -0.005723 | 0.026113 | 0.000000 |
| 12.584500 | 0.069626 | 0.458646 | -0.287577 | 0.067994 | 0.116424 | 0.193686 | -0.535471 | 0.707939 | 0.000000 |
| 6.941700 | 0.059200 | 0.397227 | -0.362888 | 0.090080 | 0.251746 | 0.457626 | -0.292802 | 0.649861 | 0.000000 |
| 3.806290 | 0.017460 | 0.116885 | -0.042150 | 0.006727 | -0.080029 | -0.226969 | 0.092330 | -1.596369 | 0.000000 |
| 2.050310 | 0.001273 | 0.007958 | 0.438871 | -0.126619 | -0.243320 | -0.820580 | 2.892903 | -3.273199 | 0.000000 |
| 1.068380 | -0.000082 | -0.002092 | 0.577129 | -0.214121 | -0.815873 | -1.170367 | -2.572972 | 8.643767 | 0.000000 |
| 0.536606 | -0.000088 | -0.001135 | 0.238770 | -0.185618 | 0.323471 | 2.479675 | -1.330890 | -7.191056 | 0.000000 |
| 0.183260 | -0.000001 | -0.000079 | 0.015702 | 0.090940 | 1.521453 | 0.507197 | 5.135163 | 2.628506 | 0.000000 |
| 0.105297 | 0.000009 | 0.000103 | -0.004204 | 0.411804 | -0.114813 | -2.455978 | -3.852308 | 1.945876 | 0.000000 |
| 0.051464 | 0.000011 | 0.000054 | 0.003045 | 0.509412 | -0.638706 | 0.463733 | -0.955099 | -4.434450 | 0.000000 |
| 0.024678 | 0.000003 | 0.000026 | 0.000059 | 0.153727 | -0.479005 | 0.888210 | 1.499897 | 2.237131 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)