MOLPRO Basis Query, element=As, basis=aug-cc-pCVQZ, l=s
Basis As s aug-cc-pCVQZ
Primitives | Contractions... |
13600341.000000 | 0.000004 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2036507.300000 | 0.000029 | -0.000009 | 0.000004 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
463432.780000 | 0.000154 | -0.000048 | 0.000019 | -0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
131259.940000 | 0.000650 | -0.000203 | 0.000079 | -0.000022 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
42819.192000 | 0.002363 | -0.000739 | 0.000288 | -0.000079 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
15457.019000 | 0.007661 | -0.002409 | 0.000939 | -0.000258 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6028.458300 | 0.022467 | -0.007154 | 0.002795 | -0.000771 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2500.559900 | 0.059342 | -0.019433 | 0.007610 | -0.002095 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1090.614900 | 0.137101 | -0.047747 | 0.018870 | -0.005216 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
495.621540 | 0.258947 | -0.102264 | 0.041006 | -0.011316 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
232.816690 | 0.347285 | -0.175833 | 0.073127 | -0.020393 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
111.631180 | 0.253425 | -0.183749 | 0.080719 | -0.022466 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
52.269950 | 0.059627 | 0.064828 | -0.031630 | 0.008559 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
26.149878 | -0.001186 | 0.510928 | -0.331738 | 0.099569 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
13.018757 | 0.001779 | 0.487314 | -0.463822 | 0.143450 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.155432 | -0.000846 | 0.103364 | 0.103699 | -0.037190 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.959127 | 0.000366 | 0.000635 | 0.718299 | -0.308537 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.373874 | -0.000162 | 0.001977 | 0.435331 | -0.347865 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.408850 | 0.000064 | -0.000450 | 0.024399 | 0.340540 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.194511 | -0.000040 | 0.000263 | -0.006676 | 0.638108 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.083641 | 0.000011 | -0.000077 | 0.001592 | 0.249008 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.261700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
6.558700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
13.188500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.032499 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.J. DeYonker, K.A. Peterson, A.K. Wilson, JPC A 111, 11383 (2007)