#
# Do gaussian 03 calculation to obtain SCF orbitals
setenv g03root /usr/local/g03
source $g03root/g03/bsd/g03.login
cd $TMPDIR
#
g03 <<eoi
# rhf/aug-cc-pVTZ 6D 10F scf=tight Gfinput PUNCH=MO

H2O

0 1
H1
O1 H1 ROH
H2 O1 ROH H1 AHOH

ROH =  0.956
AHOH =  105.2

eoi
cat fort.7
date
exit