srDFT_G2/G09/Large_core/Molecules/vqz/CH3.inp

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2019-04-01 09:40:22 +02:00
#p ROCCSD(T) cc-pVQZ pop=full gfprint
G2
0,2
C
H,1,CH
H,1,CH,2,120.
H,1,CH,2,120.,3,180.,0
CH=1.08130823