srDFT_G2/G09/Large_core/Molecules/v5z/CH3.inp
2019-04-01 13:38:24 +02:00

14 lines
129 B
Plaintext

%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