Gaussian galaxy-input

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Revision as of 00:09, 20 September 2012 by Yingz (talk | contribs) (Zhang moved page GAUSSIAN galaxy-input to Gaussian galaxy-input: renaming)
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%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
r4=1.0
a3=120.
a4=120.
d4=180.
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