CCL Home Page
Up Directory CCL g2psi.txt
G2PSI is a utilty program for PSI88 and it
is supposed to go to the directory
'/pub/chemistry/software/SOURCES/FORTRAN/psi88.

# @(#) g2psi: extracts coordinates and MO coefficients 
# and generates psi88 input files (i.e., psi1, psi2 and psicon).
# Molecular coordinates are extracted from the last occurrence
# of "Standard orientation". If the "Standard orientation" does
# not exist, "Z-Matrix orientation" is extracted instead.
# Molecule orbital coefficients are extracted from the last
# occurrence of "Molecular Orbital Coefficients".

D.Lim, lim@rani.chem.yale.edu

Modified: Thu Aug 18 16:00:00 1994 GMT
Page accessed 7914 times since Sat Apr 17 21:35:08 1999 GMT