srDFT_G2/Ref/Inputs_G1/CH3Cl.g09_zmat
2019-03-26 15:58:26 +01:00

11 lines
122 B
Plaintext

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