MOLPRO Basis Query, element=Sc, basis=aug-cc-pwCV5Z, l=s
Basis Sc s aug-cc-pwCV5Z
Primitives | Contractions... |
119495000.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21499200.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4807030.000000 | 0.000002 | -0.000001 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1284400.000000 | 0.000011 | -0.000007 | 0.000001 | -0.000000 | 0.000001 | -0.000001 | -0.000001 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
396595.000000 | 0.000044 | -0.000026 | 0.000005 | -0.000001 | 0.000002 | -0.000003 | -0.000004 | 0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
137575.000000 | 0.000151 | -0.000088 | 0.000017 | -0.000004 | 0.000007 | -0.000011 | -0.000012 | 0.000020 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
52366.800000 | 0.000464 | -0.000269 | 0.000052 | -0.000013 | 0.000022 | -0.000033 | -0.000040 | 0.000057 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21454.900000 | 0.001312 | -0.000762 | 0.000148 | -0.000036 | 0.000062 | -0.000096 | -0.000103 | 0.000175 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9316.060000 | 0.003475 | -0.002020 | 0.000392 | -0.000094 | 0.000161 | -0.000251 | -0.000303 | 0.000421 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4235.400000 | 0.008703 | -0.005081 | 0.000990 | -0.000238 | 0.000418 | -0.000649 | -0.000677 | 0.001194 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1997.440000 | 0.020660 | -0.012151 | 0.002383 | -0.000574 | 0.000977 | -0.001520 | -0.001876 | 0.002521 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
970.430000 | 0.046051 | -0.027523 | 0.005476 | -0.001319 | 0.002325 | -0.003608 | -0.003672 | 0.006727 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
483.271000 | 0.094144 | -0.057973 | 0.011831 | -0.002849 | 0.004827 | -0.007524 | -0.009536 | 0.012308 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
245.806000 | 0.168479 | -0.110126 | 0.023575 | -0.005684 | 0.010100 | -0.015689 | -0.015307 | 0.030085 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
127.360000 | 0.242756 | -0.178109 | 0.041402 | -0.009991 | 0.016734 | -0.026201 | -0.035457 | 0.041438 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
67.078800 | 0.240002 | -0.219834 | 0.058187 | -0.014097 | 0.025820 | -0.040219 | -0.032942 | 0.084796 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
35.837100 | 0.129690 | -0.152995 | 0.045961 | -0.011166 | 0.016590 | -0.026626 | -0.058393 | 0.024155 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
19.371300 | 0.051793 | 0.056781 | -0.028471 | 0.006912 | -0.005994 | 0.010329 | 0.065387 | 0.028247 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10.557100 | 0.089326 | 0.353077 | -0.181758 | 0.045582 | -0.092652 | 0.148058 | 0.063190 | -0.417467 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.772490 | 0.114374 | 0.466340 | -0.351211 | 0.092199 | -0.147554 | 0.266016 | 0.590700 | -0.585026 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.145400 | 0.053784 | 0.219916 | -0.232422 | 0.062378 | -0.153165 | 0.249434 | -0.133288 | -0.445449 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.692490 | 0.007076 | 0.028892 | 0.227719 | -0.071946 | 0.227857 | -0.540697 | -0.301706 | 4.127336 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.888649 | 0.000460 | 0.000776 | 0.575726 | -0.191705 | 0.344106 | -1.045556 | -2.969901 | -2.305176 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.471093 | -0.000046 | -0.000847 | 0.406222 | -0.237987 | 0.748206 | -0.182742 | 4.814088 | -5.710689 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.249286 | 0.000017 | -0.000123 | 0.085253 | -0.113000 | -0.758601 | 2.749406 | -0.835214 | 9.548572 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.099988 | -0.000005 | -0.000012 | 0.003975 | 0.342408 | -1.492845 | -1.329988 | -4.401836 | -8.563715 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.046369 | 0.000012 | 0.000039 | 0.001954 | 0.626306 | 0.708923 | -1.651389 | 5.729989 | 6.185611 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.021606 | 0.000002 | 0.000007 | 0.000816 | 0.234350 | 0.772679 | 1.716682 | -2.692356 | -2.142828 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.372000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.155600 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.010070 | 0.000000 | 0.000000 | 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