srDFT_G2/G09/Large_core/Molecules/vtz/CH.inp
2019-03-28 15:06:14 +01:00

10 lines
73 B
Plaintext

#p ROCCSD(T) cc-pVTZ pop=full gfprint
G2
0,2
C
H,1,RCH
RCH=1.13062603