MOLPRO Basis Query, element=Mn, basis=AWCVQZ-DK, l=s
Basis Mn s AWCVQZ-DK
Primitives | Contractions... |
12210500.000000 | 0.000058 | -0.000028 | 0.000007 | -0.000002 | -0.000003 | -0.000005 | -0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1828157.000000 | 0.000165 | -0.000079 | 0.000019 | -0.000004 | -0.000009 | -0.000014 | -0.000016 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
416030.300000 | 0.000438 | -0.000209 | 0.000051 | -0.000011 | -0.000023 | -0.000037 | -0.000044 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
117843.600000 | 0.001070 | -0.000512 | 0.000125 | -0.000028 | -0.000057 | -0.000091 | -0.000104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
38448.140000 | 0.002576 | -0.001236 | 0.000302 | -0.000067 | -0.000134 | -0.000213 | -0.000266 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
13881.710000 | 0.006227 | -0.003000 | 0.000735 | -0.000164 | -0.000341 | -0.000544 | -0.000587 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5415.002000 | 0.015255 | -0.007392 | 0.001816 | -0.000405 | -0.000790 | -0.001254 | -0.001677 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2246.460000 | 0.036993 | -0.018199 | 0.004520 | -0.001009 | -0.002145 | -0.003424 | -0.003407 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
980.146300 | 0.084702 | -0.042775 | 0.010763 | -0.002399 | -0.004560 | -0.007240 | -0.010506 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
445.895200 | 0.170750 | -0.091674 | 0.023965 | -0.005357 | -0.011734 | -0.018774 | -0.016751 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
210.055800 | 0.274397 | -0.165700 | 0.045838 | -0.010229 | -0.018518 | -0.029456 | -0.049555 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
101.804600 | 0.292043 | -0.225906 | 0.070171 | -0.015793 | -0.037587 | -0.060678 | -0.038142 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
50.011260 | 0.156222 | -0.146002 | 0.048992 | -0.010947 | -0.010919 | -0.017246 | -0.095152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22.939390 | 0.057062 | 0.201341 | -0.096943 | 0.021896 | 0.017293 | 0.027837 | 0.211291 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.522640 | 0.080835 | 0.551109 | -0.366783 | 0.088154 | 0.249181 | 0.433945 | 0.231562 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.776338 | 0.055424 | 0.364940 | -0.350689 | 0.085836 | 0.080367 | 0.164592 | 0.875281 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.625959 | 0.006629 | 0.046862 | 0.282689 | -0.080579 | -0.018770 | -0.409716 | -2.972955 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.260322 | -0.000279 | -0.004910 | 0.687744 | -0.233422 | -1.096898 | -1.964560 | 1.940533 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.577130 | -0.000072 | -0.000811 | 0.320827 | -0.218035 | 0.528005 | 2.839549 | 0.806544 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.136582 | -0.000003 | -0.000231 | 0.014297 | 0.321300 | 1.805772 | -0.966238 | -3.865274 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.063535 | 0.000018 | 0.000261 | -0.003961 | 0.587186 | -1.168371 | -1.139342 | 5.365495 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.028521 | 0.000004 | -0.000019 | 0.002153 | 0.251604 | -0.501602 | 1.403915 | -2.645465 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.338900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.601300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.012800 | 0.000000 | 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)