conquest/testsuite/test_005_isol_C2H4_4proc_PB.../C.gto

15 lines
547 B
Plaintext

C
3
2S 3 2.0 0
3.0500154803 -0.8718503385 0.0000000000
0.1599863956 0.3605314379 0.0000000000
0.5242567425 0.8731953379 0.0000000000
2P 3 2.0 0
0.1720417090 0.1855258456 0.0000000000
2.7272258524 1.7315939925 0.0000000000
0.7055493743 0.8775500569 0.0000000000
3D 3 0.0 1
86.0321546336 0.6114404190 0.0000000000
3.6206685167 1.5850293864 0.0000000000
0.5229417354 0.5889629298 0.0000000000