I have performed a geometry optimization of acetone (method HF and 6-311G** basis set) with gaussian 09 and it always gives C2 as the full point group. I've also tried with different methods and basis sets but I never get the right point group, even after manually changing the Z-Matrix. I built the molecule in molden. Am I doing anything wrong? My input file is pasted below, am I missing something?
$ RunGauss
#P HF/6-311G** Opt=VeryTight Symm=Loose
# GFINPUT IOP(6/7=3) 6D 10F
title
0 1
c
c 1 cc2
c 2 cc3 1 ccc3
o 2 oc4 3 occ4 1 dih4
h 3 hc5 2 hcc5 1 dih5
h 3 hc6 2 hcc6 1 dih6
h 3 hc7 2 hcc7 1 dih7
h 1 hc8 2 hcc8 4 dih8
h 1 hc9 2 hcc9 4 dih9
h 1 hc10 2 hcc10 4 dih10
cc2 1.700000
cc3 1.700000
ccc3 116.519
oc4 1.186274
occ4 121.740
dih4 180.000
hc5 1.081227
hcc5 109.752
dih5 0.000
hc6 1.086266
hcc6 110.487
dih6 -120.000
hc7 1.086804
hcc7 109.794
dih7 120.000
hc8 1.086804
hcc8 109.794
dih8 -60.000
hc9 1.081228
hcc9 109.752
dih9 180.000
hc10 1.086266
hcc10 110.487
dih10 60.000
A simple method is using Gaussview. There are tutorials on various website and you can google it.
When you are familiar with that, you can define the point group by editing the gif file with vi.
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