srDFT_G2/Ref/Molecules/g09/VTZ/CH3Cl.inp
2019-03-26 11:00:25 +01:00

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#p ROCCSD(T) cc-pVTZ pop=full gfprint
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