Embedded Files
At S
230.513977140 -0.0005402775922920
116.076870097 0.0025694868357337
47.836828570 -0.0130438612155735
18.979168661 0.0937277891995451
At S
9.453470768 -1.4940665172280472 0.6120132484397908
7.140305105 2.4086169109432731 -1.1131622372093777
4.284041993 -0.3899374746287504 0.2390354937258981
2.031802057 -0.7726351186901559 0.5166669732769745
At S
1.169460500 1.0000000
At S
0.464548885 1.0000000
At S
0.237515632 1.0000000
At S
0.139444900 1.0000000
At S
0.090169327 1.0000000
At S
0.035399587 1.0000000
At S
0.029939851 1.0000000
At P
580.774392018 -0.0000259434705420
128.800498473 0.0012570412670482
105.605012027 -0.0017213231149956
19.459456281 0.0075661130058624
At P
10.002357888 0.0830369819817085 0.0374902412667070
6.554937520 -0.5174760575605462 -0.2924133762736059
5.478863574 0.3456452020357105 0.2338830572138448
2.415301990 0.2917546181478427 0.1296066461206442
At P
1.295886986 1.0000000
At P
0.826773015 1.0000000
At P
0.272559616 1.0000000
At P
0.102162470 1.0000000
At P
0.074005776 1.0000000
At P
0.046287914 1.0000000
At P
0.013118811 1.0000000
At D
77.608692073 0.0001740029846999
68.350000617 -0.0002592531035542
31.570438649 -0.0000630596929905
11.839964756 -0.0053618043478623
At D
5.374530176 -0.0322322468444050 -0.0349746614861278
3.316890057 0.0683380652870445 0.0592110504223307
2.101159646 0.1004202779556095 0.1185395010457397
1.163982053 0.1399773336105425 0.1624915864709648
At D
0.599019334 1.0000000
At D
0.387667996 1.0000000
At D
0.157682113 1.0000000
At D
0.087971583 1.0000000
At D
0.023637507 1.0000000
At F
4.120234300 1.0000000
At F
2.700469823 1.0000000
At F
2.061919593 1.0000000
At F
0.744598384 1.0000000
At F
0.281123901 1.0000000
At F
0.133874052 1.0000000
At G # optional g-function from the def2-QZVP basis
0.436300000 1.0000000
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