MOLPRO Basis Query, element=Bi, basis=aug-cc-pVTZ-DK3, l=s
Basis Bi s aug-cc-pVTZ-DK3
Primitives | Contractions... |
272357300.000000 | 0.000436 | -0.000173 | 0.000083 | -0.000042 | -0.000019 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
83965040.000000 | 0.000290 | -0.000115 | 0.000055 | -0.000028 | -0.000013 | -0.000004 | 0.000000 | 0.000000 | 0.000000 |
28198020.000000 | 0.001130 | -0.000448 | 0.000216 | -0.000109 | -0.000050 | -0.000017 | 0.000000 | 0.000000 | 0.000000 |
10131260.000000 | 0.001580 | -0.000626 | 0.000302 | -0.000153 | -0.000069 | -0.000024 | 0.000000 | 0.000000 | 0.000000 |
3838644.000000 | 0.003300 | -0.001311 | 0.000632 | -0.000320 | -0.000145 | -0.000051 | 0.000000 | 0.000000 | 0.000000 |
1516773.000000 | 0.005429 | -0.002162 | 0.001043 | -0.000528 | -0.000240 | -0.000084 | 0.000000 | 0.000000 | 0.000000 |
619862.800000 | 0.009869 | -0.003950 | 0.001908 | -0.000966 | -0.000438 | -0.000154 | 0.000000 | 0.000000 | 0.000000 |
260486.500000 | 0.016772 | -0.006766 | 0.003272 | -0.001657 | -0.000753 | -0.000264 | 0.000000 | 0.000000 | 0.000000 |
112145.500000 | 0.029316 | -0.011973 | 0.005801 | -0.002939 | -0.001335 | -0.000469 | 0.000000 | 0.000000 | 0.000000 |
49365.180000 | 0.050089 | -0.020861 | 0.010143 | -0.005144 | -0.002338 | -0.000821 | 0.000000 | 0.000000 | 0.000000 |
22202.990000 | 0.085607 | -0.036756 | 0.017961 | -0.009117 | -0.004142 | -0.001454 | 0.000000 | 0.000000 | 0.000000 |
10206.360000 | 0.141289 | -0.063713 | 0.031415 | -0.015989 | -0.007275 | -0.002554 | 0.000000 | 0.000000 | 0.000000 |
4799.056000 | 0.217367 | -0.106036 | 0.053003 | -0.027049 | -0.012300 | -0.004320 | 0.000000 | 0.000000 | 0.000000 |
2310.438000 | 0.280857 | -0.154812 | 0.079299 | -0.040771 | -0.018613 | -0.006537 | 0.000000 | 0.000000 | 0.000000 |
1139.773000 | 0.253957 | -0.156673 | 0.082003 | -0.042268 | -0.019220 | -0.006760 | 0.000000 | 0.000000 | 0.000000 |
576.231200 | 0.116709 | 0.002493 | -0.012991 | 0.008147 | 0.003731 | 0.001341 | 0.000000 | 0.000000 | 0.000000 |
298.309200 | 0.015988 | 0.351396 | -0.289303 | 0.168224 | 0.079504 | 0.028053 | 0.000000 | 0.000000 | 0.000000 |
157.785100 | 0.000709 | 0.511651 | -0.544025 | 0.335972 | 0.159583 | 0.056690 | 0.000000 | 0.000000 | 0.000000 |
84.930930 | -0.000303 | 0.237981 | -0.207540 | 0.138215 | 0.070481 | 0.024919 | 0.000000 | 0.000000 | 0.000000 |
46.238460 | 0.000186 | 0.025474 | 0.655767 | -0.686863 | -0.382845 | -0.139077 | 0.000000 | 0.000000 | 0.000000 |
25.241360 | -0.000169 | 0.000950 | 0.632416 | -0.881615 | -0.506108 | -0.187574 | 0.000000 | 0.000000 | 0.000000 |
13.657110 | 0.000112 | -0.000364 | 0.112675 | 0.369734 | 0.280585 | 0.109541 | 0.000000 | 0.000000 | 0.000000 |
7.215531 | -0.000062 | 0.000013 | 0.008174 | 0.979408 | 1.081430 | 0.458438 | 0.000000 | 0.000000 | 0.000000 |
3.653953 | 0.000039 | -0.000048 | -0.002170 | 0.245470 | 0.244212 | 0.103535 | 0.000000 | 0.000000 | 0.000000 |
1.998286 | -0.000022 | 0.000034 | 0.001267 | -0.004492 | -0.950085 | -0.590614 | 0.000000 | 0.000000 | 0.000000 |
0.979550 | 0.000008 | -0.000006 | -0.000590 | 0.004258 | -0.579800 | -0.497006 | 0.000000 | 0.000000 | 0.000000 |
0.343056 | -0.000003 | 0.000003 | 0.000218 | -0.001009 | -0.034940 | 0.419981 | 1.000000 | 0.000000 | 0.000000 |
0.167394 | 0.000002 | -0.000002 | -0.000125 | 0.000540 | 0.006894 | 0.660212 | 0.000000 | 0.000000 | 0.000000 |
0.075635 | -0.000000 | 0.000000 | 0.000033 | -0.000146 | -0.001413 | 0.244215 | 0.000000 | 1.000000 | 0.000000 |
0.031492 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)
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