Gaussian galaxy-input

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Revision as of 17:19, 19 September 2012 by Yingz (talk | contribs) (Created page with "%nproc=1 %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 ...")
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%nproc=1 %mem=900mb !walltime=11:00:00

  1. 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.

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