[Molpro-user] Displaying output files with Molden - Molpro 2008.1
yfpjaya at gmail.com
Fri Sep 26 21:32:12 BST 2008
I currently have a precompiled binary of 2008.1 version, and I am unable to
open the <file>.molden with molden program. My input file contains -
and I see that the .molden file has been generated, but when I look in the
file, there are no coordinates, and all it has written is 'molpro variables'
with the variable values listed below it. Any suggestion would be of help.
My input file is as follows-
***,methane single point calculation
H1C = 1.089000, H2C = 1.089000, H3C = 1.089000, H4C = 1.089000, \
H2CH1 = 109.471, H3CH2 = 109.471, H4CH2 = 109.471, \
DIH3 = 120.000, DIH4 = -120.000
The molden file has the following leading lines-
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Molpro-user