srDFT_G2/G09/Mixed_core/Molecules/vtz/Cl2.inp
2019-04-01 12:09:35 +02:00

10 lines
71 B
Plaintext

#p ROCCSD(T) cc-pVTZ pop=full gfprint
G2
0,1
Cl
Cl,1,R
R=2.01648224