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

12 lines
92 B
Plaintext

%nproc=24
%mem=100GB
#p ROCCSD(T) cc-pV5Z pop=full gfprint
G2
0,1
C
S,1,CS
CS=1.54093216