Difference between revisions of "Gaussian galaxy-input"
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!walltime=11:00:00 | !walltime=11:00:00 | ||
Latest revision as of 14:24, 30 June 2017
%nproc=4 %mem=900mb !walltime=11:00:00 #P HF/6-31G(d) scf=tight test1 HF/6-31G(d) sp formaldehyde 0 1 C1 O2 1 r2 H3 1 r3 2 a3 H4 1 r4 2 a4 3 d4 r2=1.20 r3=1.0 r4=1.0 a3=120. a4=120. d4=180.