MOLPRO Basis Query, element=Ce, basis=cc-pVQZ-X2C, l=s
Basis Ce s cc-pVQZ-X2C
Primitives | Contractions... |
73686820.000000 | 0.000240 | -0.000133 | 0.000070 | -0.000016 | 0.000009 | -0.000005 | -0.000007 | 0.000010 | -0.000013 | 0.000013 | 0.000000 |
19590090.000000 | 0.000202 | -0.000112 | 0.000059 | -0.000013 | 0.000007 | -0.000004 | -0.000006 | 0.000008 | -0.000011 | 0.000011 | 0.000000 |
6700681.000000 | 0.000609 | -0.000337 | 0.000177 | -0.000041 | 0.000022 | -0.000013 | -0.000019 | 0.000025 | -0.000032 | 0.000033 | 0.000000 |
2547240.000000 | 0.000789 | -0.000437 | 0.000230 | -0.000053 | 0.000029 | -0.000017 | -0.000024 | 0.000032 | -0.000042 | 0.000043 | 0.000000 |
1053093.000000 | 0.001633 | -0.000905 | 0.000476 | -0.000109 | 0.000059 | -0.000035 | -0.000050 | 0.000066 | -0.000087 | 0.000088 | 0.000000 |
457815.600000 | 0.002511 | -0.001395 | 0.000735 | -0.000168 | 0.000092 | -0.000054 | -0.000077 | 0.000102 | -0.000133 | 0.000136 | 0.000000 |
207368.800000 | 0.004645 | -0.002587 | 0.001366 | -0.000313 | 0.000170 | -0.000100 | -0.000143 | 0.000190 | -0.000250 | 0.000254 | 0.000000 |
96897.690000 | 0.007775 | -0.004349 | 0.002304 | -0.000528 | 0.000288 | -0.000168 | -0.000242 | 0.000321 | -0.000415 | 0.000426 | 0.000000 |
46597.580000 | 0.013998 | -0.007873 | 0.004187 | -0.000961 | 0.000523 | -0.000306 | -0.000440 | 0.000586 | -0.000775 | 0.000782 | 0.000000 |
23000.440000 | 0.024341 | -0.013815 | 0.007397 | -0.001701 | 0.000927 | -0.000542 | -0.000779 | 0.001032 | -0.001323 | 0.001368 | 0.000000 |
11618.570000 | 0.043332 | -0.024921 | 0.013474 | -0.003108 | 0.001692 | -0.000990 | -0.001424 | 0.001898 | -0.002537 | 0.002543 | 0.000000 |
5986.655000 | 0.074704 | -0.043945 | 0.024145 | -0.005598 | 0.003047 | -0.001782 | -0.002563 | 0.003386 | -0.004285 | 0.004476 | 0.000000 |
3140.705000 | 0.123863 | -0.075642 | 0.042653 | -0.009968 | 0.005422 | -0.003171 | -0.004562 | 0.006103 | -0.008297 | 0.008229 | 0.000000 |
1676.473000 | 0.184438 | -0.120381 | 0.070888 | -0.016802 | 0.009128 | -0.005339 | -0.007684 | 0.010112 | -0.012488 | 0.013304 | 0.000000 |
910.379100 | 0.228142 | -0.166513 | 0.104855 | -0.025401 | 0.013778 | -0.008059 | -0.011604 | 0.015653 | -0.022159 | 0.021442 | 0.000000 |
502.540300 | 0.202167 | -0.173451 | 0.119143 | -0.029798 | 0.016123 | -0.009432 | -0.013593 | 0.017603 | -0.019385 | 0.022579 | 0.000000 |
281.331500 | 0.111303 | -0.082900 | 0.054350 | -0.013557 | 0.007343 | -0.004296 | -0.006170 | 0.009233 | -0.020107 | 0.014434 | 0.000000 |
158.051000 | 0.056940 | 0.123202 | -0.159659 | 0.049033 | -0.026218 | 0.015357 | 0.022275 | -0.032444 | 0.062057 | -0.051165 | 0.000000 |
91.708030 | 0.070512 | 0.299403 | -0.457449 | 0.158505 | -0.084417 | 0.049522 | 0.071995 | -0.090895 | 0.078695 | -0.114681 | 0.000000 |
54.398860 | 0.060073 | 0.255269 | -0.523073 | 0.203752 | -0.108290 | 0.063620 | 0.093786 | -0.141382 | 0.286037 | -0.233914 | 0.000000 |
33.015870 | 0.027985 | 0.120917 | -0.193262 | 0.080000 | -0.043685 | 0.025897 | 0.035986 | -0.014246 | -0.188792 | 0.079212 | 0.000000 |
20.343430 | 0.022868 | 0.123125 | 0.349567 | -0.247834 | 0.134257 | -0.079966 | -0.115713 | 0.095004 | 0.275271 | -0.060313 | 0.000000 |
12.908260 | 0.028639 | 0.159841 | 0.611127 | -0.611048 | 0.349971 | -0.211837 | -0.343176 | 0.614382 | -1.675000 | 1.679290 | 0.000000 |
7.989304 | 0.017168 | 0.097191 | 0.376976 | -0.425298 | 0.235193 | -0.141251 | -0.217478 | 0.145488 | 1.030080 | -1.168640 | 0.000000 |
4.604490 | 0.003242 | 0.017499 | 0.055030 | 0.286166 | -0.187295 | 0.116582 | 0.274936 | -0.375813 | -1.260760 | 1.247880 | 0.000000 |
2.794051 | -0.000522 | -0.003293 | -0.040425 | 0.691888 | -0.569555 | 0.379753 | 0.633410 | -1.181510 | 6.337150 | -10.141800 | 0.000000 |
1.668018 | -0.000089 | -0.001057 | -0.018332 | 0.355796 | -0.479185 | 0.343394 | 0.943391 | -1.315670 | -5.924010 | 19.731300 | 0.000000 |
0.988166 | -0.000115 | -0.000599 | -0.005320 | 0.079018 | 0.084373 | -0.087381 | -1.334180 | 4.107590 | -3.649120 | -14.556400 | 0.000000 |
0.544647 | 0.000015 | -0.000024 | -0.001423 | 0.065907 | 0.537681 | -0.463950 | -1.254650 | -0.015883 | 8.628750 | -0.836310 | 0.000000 |
0.307146 | -0.000035 | -0.000181 | -0.001729 | 0.047354 | 0.388584 | -0.479439 | 0.366765 | -3.157200 | -2.572920 | 10.221700 | 0.000000 |
0.172666 | 0.000010 | 0.000026 | -0.000083 | 0.009980 | 0.056539 | -0.223229 | 0.839995 | -0.291802 | -3.705650 | -6.858220 | 0.000000 |
0.096467 | -0.000008 | -0.000030 | -0.000173 | 0.002720 | 0.056315 | 0.144503 | 0.885648 | 2.100230 | 1.784600 | -1.424660 | 0.000000 |
0.050941 | 0.000002 | 0.000000 | -0.000092 | 0.007376 | 0.169219 | 0.495324 | -0.116776 | 0.544333 | 1.649490 | 3.385950 | 0.000000 |
0.026953 | -0.000003 | -0.000015 | -0.000153 | 0.006845 | 0.159115 | 0.468396 | -0.661394 | -0.861512 | -0.720938 | 0.005505 | 0.000000 |
0.013996 | -0.000000 | -0.000001 | -0.000024 | 0.001469 | 0.034010 | 0.100456 | -0.246458 | -0.383737 | -0.533383 | -1.184380 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)