MOLPRO Basis Query, element=Ta, basis=AVTZ-DK, l=s
Basis Ta s AVTZ-DK
Primitives | Contractions... |
14914680000.000000 | 0.000018 | -0.000007 | 0.000003 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2154375000.000000 | 0.000047 | -0.000020 | 0.000009 | -0.000005 | 0.000002 | -0.000000 | -0.000001 | -0.000001 | 0.000000 | 0.000000 |
413864500.000000 | 0.000127 | -0.000053 | 0.000023 | -0.000014 | 0.000005 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 |
99852020.000000 | 0.000282 | -0.000118 | 0.000052 | -0.000032 | 0.000010 | -0.000003 | -0.000005 | -0.000007 | 0.000000 | 0.000000 |
28815030.000000 | 0.000574 | -0.000240 | 0.000106 | -0.000065 | 0.000021 | -0.000006 | -0.000010 | -0.000014 | 0.000000 | 0.000000 |
9546308.000000 | 0.001080 | -0.000452 | 0.000199 | -0.000122 | 0.000039 | -0.000011 | -0.000018 | -0.000027 | 0.000000 | 0.000000 |
3509986.000000 | 0.001946 | -0.000816 | 0.000359 | -0.000220 | 0.000070 | -0.000019 | -0.000032 | -0.000049 | 0.000000 | 0.000000 |
1393657.000000 | 0.003401 | -0.001429 | 0.000629 | -0.000386 | 0.000123 | -0.000034 | -0.000057 | -0.000086 | 0.000000 | 0.000000 |
584873.500000 | 0.005877 | -0.002479 | 0.001093 | -0.000670 | 0.000213 | -0.000058 | -0.000099 | -0.000149 | 0.000000 | 0.000000 |
255249.300000 | 0.010118 | -0.004293 | 0.001898 | -0.001163 | 0.000370 | -0.000101 | -0.000172 | -0.000262 | 0.000000 | 0.000000 |
114496.300000 | 0.017503 | -0.007488 | 0.003324 | -0.002035 | 0.000648 | -0.000177 | -0.000298 | -0.000448 | 0.000000 | 0.000000 |
52381.290000 | 0.030491 | -0.013216 | 0.005904 | -0.003612 | 0.001149 | -0.000315 | -0.000537 | -0.000822 | 0.000000 | 0.000000 |
24331.960000 | 0.053457 | -0.023635 | 0.010656 | -0.006507 | 0.002072 | -0.000567 | -0.000949 | -0.001413 | 0.000000 | 0.000000 |
11455.070000 | 0.093241 | -0.042583 | 0.019497 | -0.011876 | 0.003779 | -0.001034 | -0.001780 | -0.002747 | 0.000000 | 0.000000 |
5466.445000 | 0.157092 | -0.075648 | 0.035465 | -0.021521 | 0.006860 | -0.001880 | -0.003112 | -0.004582 | 0.000000 | 0.000000 |
2648.194000 | 0.238719 | -0.125940 | 0.061437 | -0.037099 | 0.011819 | -0.003236 | -0.005648 | -0.008856 | 0.000000 | 0.000000 |
1305.227000 | 0.285955 | -0.174259 | 0.090060 | -0.054150 | 0.017341 | -0.004755 | -0.007639 | -0.010828 | 0.000000 | 0.000000 |
655.979000 | 0.213267 | -0.143721 | 0.077740 | -0.046790 | 0.014927 | -0.004083 | -0.007911 | -0.013759 | 0.000000 | 0.000000 |
336.728100 | 0.072058 | 0.076823 | -0.073678 | 0.045888 | -0.015036 | 0.004117 | 0.009355 | 0.018418 | 0.000000 | 0.000000 |
176.617600 | 0.016722 | 0.404141 | -0.398778 | 0.266597 | -0.090672 | 0.024988 | 0.036911 | 0.046679 | 0.000000 | 0.000000 |
94.517800 | 0.008512 | 0.406259 | -0.533621 | 0.391444 | -0.136273 | 0.037552 | 0.075932 | 0.137063 | 0.000000 | 0.000000 |
51.401870 | 0.007915 | 0.150459 | -0.013518 | -0.014504 | 0.005059 | -0.001313 | -0.027420 | -0.086354 | 0.000000 | 0.000000 |
28.203940 | 0.023000 | 0.087907 | 0.646965 | -0.903927 | 0.400396 | -0.113053 | -0.146593 | -0.151235 | 0.000000 | 0.000000 |
15.442780 | 0.014158 | 0.049375 | 0.400271 | -0.717871 | 0.323733 | -0.091338 | -0.238378 | -0.502993 | 0.000000 | 0.000000 |
8.308139 | 0.003249 | 0.009983 | 0.134546 | 0.570520 | -0.374715 | 0.109438 | 0.325087 | 0.753182 | 0.000000 | 0.000000 |
4.302296 | 0.002013 | 0.005378 | 0.112708 | 0.851997 | -0.829446 | 0.263005 | 0.264855 | 0.153076 | 0.000000 | 0.000000 |
2.088663 | 0.000338 | 0.000922 | 0.019946 | 0.162817 | -0.101819 | 0.031966 | 0.423563 | 1.116751 | 0.000000 | 0.000000 |
1.053233 | -0.000001 | -0.000013 | -0.000285 | -0.002658 | 0.841773 | -0.357010 | -1.431349 | -4.221177 | 0.000000 | 0.000000 |
0.487521 | -0.000003 | -0.000008 | -0.000040 | 0.002858 | 0.530381 | -0.387449 | 0.040603 | 3.842392 | 0.000000 | 0.000000 |
0.136792 | 0.000001 | 0.000000 | -0.000009 | -0.000483 | 0.031029 | 0.295270 | 2.422544 | -0.575732 | 0.000000 | 0.000000 |
0.066388 | -0.000001 | -0.000001 | -0.000004 | 0.000285 | -0.013103 | 0.664040 | -1.420371 | -1.933570 | 0.000000 | 0.000000 |
0.029352 | 0.000000 | 0.000000 | -0.000001 | -0.000103 | 0.001510 | 0.259946 | -0.529899 | 1.705474 | 1.000000 | 0.000000 |
0.013000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database