MOLPRO Basis Query, element=At, basis=cc-pwCVQZ-DK, l=s
Basis At s cc-pwCVQZ-DK
Primitives | Contractions... |
848424300.000000 | 0.000252 | -0.000101 | 0.000049 | -0.000025 | -0.000011 | 0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
249374900.000000 | 0.000187 | -0.000075 | 0.000036 | -0.000018 | -0.000009 | 0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79844090.000000 | 0.000671 | -0.000268 | 0.000130 | -0.000066 | -0.000031 | 0.000012 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
27425210.000000 | 0.000983 | -0.000393 | 0.000190 | -0.000097 | -0.000045 | 0.000017 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9978904.000000 | 0.002035 | -0.000815 | 0.000394 | -0.000201 | -0.000093 | 0.000035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3807033.000000 | 0.003389 | -0.001360 | 0.000658 | -0.000335 | -0.000156 | 0.000059 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1510564.000000 | 0.006160 | -0.002480 | 0.001201 | -0.000611 | -0.000284 | 0.000107 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
619505.300000 | 0.010445 | -0.004228 | 0.002049 | -0.001044 | -0.000485 | 0.000182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
261415.900000 | 0.018167 | -0.007415 | 0.003598 | -0.001834 | -0.000852 | 0.000320 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
113147.500000 | 0.030801 | -0.012737 | 0.006194 | -0.003158 | -0.001467 | 0.000552 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
50135.140000 | 0.052543 | -0.022162 | 0.010816 | -0.005520 | -0.002566 | 0.000965 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22719.040000 | 0.087937 | -0.038257 | 0.018768 | -0.009586 | -0.004456 | 0.001675 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10525.870000 | 0.143546 | -0.065570 | 0.032454 | -0.016627 | -0.007739 | 0.002911 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4986.705000 | 0.216978 | -0.107112 | 0.053756 | -0.027602 | -0.012842 | 0.004830 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2416.681000 | 0.277685 | -0.154138 | 0.079190 | -0.040988 | -0.019141 | 0.007207 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1198.465000 | 0.249555 | -0.152792 | 0.080001 | -0.041416 | -0.019269 | 0.007244 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
608.227700 | 0.116074 | 0.006957 | -0.016595 | 0.010167 | 0.004808 | -0.001806 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
315.759300 | 0.016008 | 0.351595 | -0.291371 | 0.171036 | 0.082730 | -0.031388 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
167.487900 | 0.001010 | 0.506921 | -0.540891 | 0.336018 | 0.163567 | -0.062060 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
90.574510 | -0.000580 | 0.237501 | -0.206221 | 0.138875 | 0.072377 | -0.027974 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
49.767620 | 0.000447 | 0.026558 | 0.631384 | -0.668695 | -0.382761 | 0.150510 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
27.649600 | -0.000398 | 0.001075 | 0.633051 | -0.877426 | -0.515867 | 0.203245 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
15.430150 | 0.000294 | -0.000361 | 0.132795 | 0.227166 | 0.176018 | -0.069867 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8.575890 | -0.000191 | 0.000003 | 0.011598 | 0.945716 | 1.019790 | -0.469758 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.696238 | 0.000118 | -0.000051 | -0.002235 | 0.373628 | 0.508986 | -0.237954 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.500679 | -0.000065 | 0.000031 | 0.001391 | 0.014483 | -0.837556 | 0.540369 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.277024 | 0.000032 | -0.000005 | -0.000881 | 0.005081 | -0.736152 | 0.679707 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.552437 | -0.000021 | 0.000005 | 0.000544 | -0.002404 | -0.083354 | -0.095341 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.324672 | 0.000015 | -0.000004 | -0.000389 | 0.001726 | 0.011910 | -0.608297 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.166475 | -0.000005 | 0.000001 | 0.000143 | -0.000650 | -0.002821 | -0.525814 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.078183 | 0.000001 | -0.000000 | -0.000029 | 0.000127 | 0.000333 | -0.116456 | 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)