G90 symmetry
Dear Netters
we have the following problem with GAUSSIAN 90.
We want to make a force constant calculation of a molecule having 34 atoms in
D3h
Symmetry. We have the cartesian coordinates generated with an accuracy of 10**-9
Angstroms.
Using these cartesian coordinates as input for GAUSSIAN 90 the program only
finds CS Symmetry.
The same problem occurs when we first generate a Z-matrix in internal
coordinates.
Does anybody have an idea how to solve this problem?
Thanks a lot
Juerg Hutter
IPS, ETH Zurich
hutter # - at - # ips.id.ethz.ch