srDFT_G2/Ref/Molecules/g09/CH3Cl.inp
2019-03-25 22:30:19 +01:00

15 lines
147 B
Plaintext

#p CCSD(T) cc-pVDZ
G2
0,1
C
Cl,1,CCl
H,1,CH,2,HCCl
H,1,CH,2,HCCl,3,120.,0
H,1,CH,2,HCCl,3,240.,0
CCl=1.79885648
CH=1.08881113
HCCl=108.3077969