srDFT_G2/G09/Mixed_core/Molecules/v5z/O2.inp
2019-04-05 15:55:13 +02:00

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90 B
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%nproc=24
%mem=100GB
#p ROCCSD(T) cc-pV5Z pop=full gfprint
G2
0,3
O
O,1,r
r=1.20639068