MOLPRO Basis Query, element=Bk, basis=cc-pwCVDZ-X2C, l=p
Basis Bk p cc-pwCVDZ-X2C
Primitives | Contractions... |
29520809.000000 | 0.000029 | -0.000036 | 0.000002 | -0.000005 | 0.000002 | -0.000001 | -0.000002 | 0.000000 | 0.000000 |
6536843.800000 | 0.000063 | -0.000078 | 0.000005 | -0.000011 | 0.000005 | -0.000001 | -0.000004 | 0.000000 | 0.000000 |
1694509.400000 | 0.000186 | -0.000232 | 0.000014 | -0.000034 | 0.000015 | -0.000003 | -0.000012 | 0.000000 | 0.000000 |
487993.390000 | 0.000480 | -0.000601 | 0.000037 | -0.000088 | 0.000039 | -0.000009 | -0.000030 | 0.000000 | 0.000000 |
152570.610000 | 0.001281 | -0.001610 | 0.000101 | -0.000235 | 0.000105 | -0.000024 | -0.000081 | 0.000000 | 0.000000 |
51175.536000 | 0.003411 | -0.004308 | 0.000274 | -0.000632 | 0.000282 | -0.000065 | -0.000216 | 0.000000 | 0.000000 |
18338.155000 | 0.009258 | -0.011780 | 0.000772 | -0.001736 | 0.000777 | -0.000178 | -0.000596 | 0.000000 | 0.000000 |
7021.046800 | 0.025008 | -0.032213 | 0.002185 | -0.004798 | 0.002145 | -0.000492 | -0.001636 | 0.000000 | 0.000000 |
2870.574200 | 0.064343 | -0.084722 | 0.006192 | -0.012811 | 0.005730 | -0.001317 | -0.004405 | 0.000000 | 0.000000 |
1247.177800 | 0.144130 | -0.196351 | 0.015651 | -0.030521 | 0.013634 | -0.003127 | -0.010374 | 0.000000 | 0.000000 |
570.073900 | 0.244850 | -0.348377 | 0.031445 | -0.055722 | 0.024928 | -0.005737 | -0.019279 | 0.000000 | 0.000000 |
271.408320 | 0.261621 | -0.323545 | 0.016141 | -0.045487 | 0.020253 | -0.004616 | -0.014950 | 0.000000 | 0.000000 |
132.767280 | 0.208011 | 0.156295 | -0.131494 | 0.093455 | -0.041657 | 0.009521 | 0.030775 | 0.000000 | 0.000000 |
67.451225 | 0.225191 | 0.647449 | -0.365688 | 0.279655 | -0.126273 | 0.029346 | 0.101342 | 0.000000 | 0.000000 |
34.744281 | 0.127164 | 0.337785 | -0.037478 | 0.041032 | -0.014802 | 0.002823 | 0.002152 | 0.000000 | 0.000000 |
17.465046 | 0.011159 | -0.139695 | 0.667267 | -0.606313 | 0.293966 | -0.068056 | -0.220208 | 0.000000 | 0.000000 |
9.055047 | -0.002138 | -0.128364 | 0.473686 | -0.350514 | 0.167336 | -0.040803 | -0.156613 | 0.000000 | 0.000000 |
4.280267 | -0.000263 | -0.009338 | 0.050156 | 0.715036 | -0.518773 | 0.132743 | 0.527929 | 1.000000 | 0.000000 |
2.071319 | 0.000317 | 0.004036 | -0.003947 | 0.537759 | -0.317486 | 0.075043 | 0.183798 | 0.000000 | 0.000000 |
0.785785 | -0.000024 | 0.000233 | 0.000439 | 0.068462 | 0.588265 | -0.184726 | -1.051700 | 0.000000 | 0.000000 |
0.323641 | 0.000021 | 0.000090 | -0.000189 | 0.014377 | 0.586958 | -0.245559 | 0.326791 | 0.000000 | 0.000000 |
0.091711 | -0.000006 | -0.000005 | 0.000074 | 0.003413 | 0.069785 | 0.332033 | 0.808828 | 0.000000 | 0.000000 |
0.031255 | 0.000002 | 0.000003 | -0.000024 | -0.000694 | -0.008481 | 0.794869 | 0.062323 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)