MOLPRO Basis Query, element=Bk, basis=cc-pwCVQZ-X2C, l=p
Basis Bk p cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 78329218.000000 | 0.000014 | -0.000017 | 0.000001 | -0.000002 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | 0.000002 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 30058864.000000 | 0.000006 | -0.000007 | 0.000000 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | -0.000001 | 0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 11613715.000000 | 0.000037 | -0.000046 | 0.000003 | -0.000007 | 0.000003 | -0.000001 | -0.000002 | -0.000003 | 0.000005 | -0.000006 | 0.000000 | 0.000000 | 0.000000 |
| 4670729.000000 | 0.000047 | -0.000058 | 0.000004 | -0.000009 | 0.000004 | -0.000001 | -0.000003 | -0.000004 | 0.000006 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
| 1941818.400000 | 0.000118 | -0.000147 | 0.000009 | -0.000021 | 0.000010 | -0.000002 | -0.000007 | -0.000011 | 0.000016 | -0.000018 | 0.000000 | 0.000000 | 0.000000 |
| 831316.220000 | 0.000204 | -0.000255 | 0.000016 | -0.000037 | 0.000017 | -0.000004 | -0.000013 | -0.000019 | 0.000028 | -0.000032 | 0.000000 | 0.000000 | 0.000000 |
| 365243.450000 | 0.000429 | -0.000538 | 0.000033 | -0.000079 | 0.000035 | -0.000008 | -0.000027 | -0.000040 | 0.000059 | -0.000065 | 0.000000 | 0.000000 | 0.000000 |
| 164404.150000 | 0.000823 | -0.001034 | 0.000064 | -0.000152 | 0.000068 | -0.000015 | -0.000052 | -0.000078 | 0.000114 | -0.000131 | 0.000000 | 0.000000 | 0.000000 |
| 75725.837000 | 0.001689 | -0.002127 | 0.000134 | -0.000312 | 0.000139 | -0.000032 | -0.000107 | -0.000161 | 0.000235 | -0.000253 | 0.000000 | 0.000000 | 0.000000 |
| 35679.845000 | 0.003427 | -0.004334 | 0.000277 | -0.000639 | 0.000285 | -0.000065 | -0.000219 | -0.000326 | 0.000481 | -0.000563 | 0.000000 | 0.000000 | 0.000000 |
| 17206.904000 | 0.007174 | -0.009123 | 0.000593 | -0.001350 | 0.000601 | -0.000136 | -0.000465 | -0.000696 | 0.001018 | -0.001074 | 0.000000 | 0.000000 | 0.000000 |
| 8506.342900 | 0.015015 | -0.019269 | 0.001293 | -0.002873 | 0.001279 | -0.000290 | -0.000984 | -0.001463 | 0.002166 | -0.002583 | 0.000000 | 0.000000 | 0.000000 |
| 4317.081100 | 0.031268 | -0.040645 | 0.002836 | -0.006118 | 0.002724 | -0.000618 | -0.002108 | -0.003162 | 0.004612 | -0.004750 | 0.000000 | 0.000000 | 0.000000 |
| 2250.463000 | 0.062304 | -0.082656 | 0.006141 | -0.012639 | 0.005627 | -0.001276 | -0.004323 | -0.006420 | 0.009534 | -0.011683 | 0.000000 | 0.000000 | 0.000000 |
| 1203.709400 | 0.113475 | -0.154732 | 0.012384 | -0.024132 | 0.010743 | -0.002436 | -0.008332 | -0.012533 | 0.018223 | -0.017936 | 0.000000 | 0.000000 | 0.000000 |
| 659.087450 | 0.175553 | -0.247811 | 0.021756 | -0.039679 | 0.017660 | -0.004004 | -0.013524 | -0.019996 | 0.029958 | -0.039368 | 0.000000 | 0.000000 | 0.000000 |
| 368.760460 | 0.210012 | -0.293816 | 0.024875 | -0.046516 | 0.020706 | -0.004695 | -0.016212 | -0.024699 | 0.035173 | -0.026168 | 0.000000 | 0.000000 | 0.000000 |
| 209.776470 | 0.186267 | -0.159108 | -0.012241 | -0.010910 | 0.004833 | -0.001088 | -0.003164 | -0.003577 | 0.007387 | -0.036253 | 0.000000 | 0.000000 | 0.000000 |
| 120.877800 | 0.161372 | 0.191911 | -0.129951 | 0.094849 | -0.042395 | 0.009647 | 0.031939 | 0.046038 | -0.074774 | 0.146065 | 0.000000 | 0.000000 | 0.000000 |
| 71.011529 | 0.179308 | 0.502588 | -0.281789 | 0.220906 | -0.099264 | 0.022621 | 0.079735 | 0.125544 | -0.181994 | 0.097200 | 0.000000 | 0.000000 | 0.000000 |
| 41.927571 | 0.134420 | 0.393010 | -0.172026 | 0.131258 | -0.057618 | 0.013065 | 0.040192 | 0.050729 | -0.088566 | 0.312866 | 0.000000 | 0.000000 | 0.000000 |
| 24.687735 | 0.041542 | 0.040960 | 0.267894 | -0.208326 | 0.099433 | -0.023004 | -0.073766 | -0.105238 | 0.228518 | -0.743380 | 0.000000 | 0.000000 | 0.000000 |
| 14.651067 | 0.001191 | -0.145248 | 0.574875 | -0.541036 | 0.269800 | -0.062624 | -0.230744 | -0.382642 | 0.531909 | 0.159936 | 0.000000 | 0.000000 | 0.000000 |
| 8.690066 | -0.001654 | -0.091943 | 0.342887 | -0.261060 | 0.113951 | -0.026095 | -0.064024 | -0.041081 | 0.124711 | -1.419980 | 1.000000 | 0.000000 | 0.000000 |
| 5.057553 | -0.000262 | -0.015671 | 0.065462 | 0.434252 | -0.293664 | 0.071397 | 0.226072 | 0.345310 | -1.071090 | 4.275210 | 0.000000 | 1.000000 | 0.000000 |
| 2.895031 | 0.000192 | 0.003009 | 0.000828 | 0.605254 | -0.447824 | 0.113959 | 0.500591 | 0.997747 | -1.421140 | -2.994870 | 0.000000 | 0.000000 | 0.000000 |
| 1.616239 | 0.000078 | 0.001284 | -0.000493 | 0.242574 | -0.088217 | 0.016417 | -0.080878 | -0.782541 | 3.914830 | -2.695130 | 0.000000 | 0.000000 | 0.000000 |
| 0.871977 | 0.000015 | 0.000303 | -0.000255 | 0.041666 | 0.393417 | -0.121573 | -0.770281 | -1.384850 | -1.709550 | 6.679010 | 0.000000 | 0.000000 | 0.000000 |
| 0.460788 | 0.000002 | 0.000015 | 0.000075 | 0.018630 | 0.519982 | -0.183381 | -0.244980 | 0.937957 | -1.928280 | -5.542350 | 0.000000 | 0.000000 | 0.000000 |
| 0.238390 | 0.000002 | 0.000042 | -0.000014 | 0.008441 | 0.268879 | -0.126328 | 0.358907 | 1.032370 | 2.096090 | 1.466510 | 0.000000 | 0.000000 | 0.000000 |
| 0.111975 | -0.000000 | -0.000008 | 0.000020 | 0.001452 | 0.044674 | 0.144611 | 0.568871 | -0.568306 | 0.094613 | 1.392750 | 0.000000 | 0.000000 | 0.000000 |
| 0.054914 | 0.000000 | 0.000006 | -0.000008 | -0.000040 | 0.001002 | 0.469578 | 0.241197 | -0.540937 | -0.750891 | -1.168360 | 0.000000 | 0.000000 | 0.000000 |
| 0.027153 | -0.000000 | -0.000003 | 0.000004 | 0.000066 | 0.001344 | 0.436343 | 0.028365 | -0.036555 | -0.037182 | -0.031510 | 0.000000 | 0.000000 | 0.000000 |
| 0.013346 | 0.000000 | 0.000001 | -0.000001 | -0.000015 | -0.000245 | 0.108525 | -0.000198 | -0.006018 | -0.013261 | -0.032260 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)