srDFT_G2/G09/Mixed_core/Molecules/v5z/CH3.inp
2019-04-05 15:55:13 +02:00

14 lines
129 B
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%nproc=24
%mem=100GB
#p ROCCSD(T) cc-pV5Z 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