MOLPRO Basis Query, element=Cr, basis=cc-pwCVQZ-DK, l=s
Basis Cr s cc-pwCVQZ-DK
Primitives | Contractions... |
11016640.000000 | 0.000054 | -0.000030 | 0.000006 | -0.000001 | -0.000003 | -0.000005 | -0.000005 | 0.000000 | 0.000000 | 0.000000 |
1649423.000000 | 0.000154 | -0.000086 | 0.000018 | -0.000004 | -0.000008 | -0.000013 | -0.000015 | 0.000000 | 0.000000 | 0.000000 |
375358.900000 | 0.000412 | -0.000228 | 0.000049 | -0.000011 | -0.000022 | -0.000035 | -0.000042 | 0.000000 | 0.000000 | 0.000000 |
106323.600000 | 0.001012 | -0.000562 | 0.000121 | -0.000028 | -0.000055 | -0.000087 | -0.000099 | 0.000000 | 0.000000 | 0.000000 |
34689.760000 | 0.002460 | -0.001367 | 0.000294 | -0.000067 | -0.000131 | -0.000208 | -0.000259 | 0.000000 | 0.000000 | 0.000000 |
12524.830000 | 0.006008 | -0.003352 | 0.000725 | -0.000166 | -0.000338 | -0.000532 | -0.000566 | 0.000000 | 0.000000 | 0.000000 |
4885.752000 | 0.014870 | -0.008339 | 0.001809 | -0.000412 | -0.000786 | -0.001254 | -0.001683 | 0.000000 | 0.000000 | 0.000000 |
2026.918000 | 0.036309 | -0.020648 | 0.004540 | -0.001039 | -0.002166 | -0.003399 | -0.003308 | 0.000000 | 0.000000 | 0.000000 |
884.364500 | 0.083308 | -0.048543 | 0.010837 | -0.002463 | -0.004587 | -0.007361 | -0.010739 | 0.000000 | 0.000000 | 0.000000 |
402.317000 | 0.167362 | -0.103288 | 0.024159 | -0.005548 | -0.011904 | -0.018610 | -0.016034 | 0.000000 | 0.000000 | 0.000000 |
189.527100 | 0.266103 | -0.183652 | 0.045962 | -0.010438 | -0.018492 | -0.030128 | -0.051158 | 0.000000 | 0.000000 | 0.000000 |
91.860950 | 0.276138 | -0.242678 | 0.069897 | -0.016239 | -0.037872 | -0.058728 | -0.033143 | 0.000000 | 0.000000 | 0.000000 |
45.124760 | 0.142968 | -0.149700 | 0.046691 | -0.010385 | -0.009363 | -0.019027 | -0.101498 | 0.000000 | 0.000000 | 0.000000 |
20.625120 | 0.069569 | 0.206191 | -0.099929 | 0.022425 | 0.017702 | 0.038848 | 0.233271 | 0.000000 | 0.000000 | 0.000000 |
10.319730 | 0.115358 | 0.546295 | -0.368570 | 0.092475 | 0.254799 | 0.418792 | 0.201463 | 0.000000 | 0.000000 | 0.000000 |
5.157723 | 0.076050 | 0.351933 | -0.342453 | 0.083365 | 0.070724 | 0.185359 | 0.880314 | 0.000000 | 0.000000 | 0.000000 |
2.312628 | 0.008970 | 0.043451 | 0.298513 | -0.082147 | -0.025707 | -0.521569 | -3.103087 | 0.000000 | 0.000000 | 0.000000 |
1.103079 | -0.000263 | -0.003487 | 0.697653 | -0.259025 | -1.136358 | -1.807587 | 2.329039 | 0.000000 | 0.000000 | 0.000000 |
0.498042 | 0.000071 | 0.000052 | 0.295692 | -0.204176 | 0.628140 | 2.872505 | 0.445165 | 0.000000 | 0.000000 | 0.000000 |
0.118247 | -0.000011 | -0.000196 | 0.009590 | 0.377777 | 1.883337 | -1.344882 | -3.888207 | 0.000000 | 0.000000 | 0.000000 |
0.057356 | 0.000040 | 0.000286 | -0.001075 | 0.558897 | -1.392949 | -0.720092 | 5.561546 | 0.000000 | 0.000000 | 0.000000 |
0.025760 | 0.000004 | -0.000013 | 0.001277 | 0.227685 | -0.412735 | 1.268857 | -2.723428 | 1.000000 | 0.000000 | 0.000000 |
4.799100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.428700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)