srDFT_G2/G09/Mixed_core/Molecules/vqz/P2.inp
2019-04-01 12:09:35 +02:00

10 lines
70 B
Plaintext

#p ROCCSD(T) cc-pVQZ pop=full gfprint
G2
0,1
P
P,1,PP
PP=1.8953162