#
# Do gaussian 03 calculation to obtain SCF orbitals
setenv g03root /usr/local/g03
source $g03root/g03/bsd/g03.login
cd $TMPDIR
#
g03 <<eoi
#HF/D95 6D 10F scf=tight Gfinput PUNCH=MO

 C2H6

 0 1
 C1
 C2                   C1   RCC
 H3                   C1   RCH      C2   ACCH
 H4                   C1   RCH      C2   ACCH     H3    120.     0
 H5                   C1   RCH      C2   ACCH     H3   -120.     0
 H6                   C2   RCH      C1   ACCH     H3    180.     0
 H7                   C2   RCH      C1   ACCH     H6    120.     0
 H8                   C2   RCH      C1   ACCH     H6   -120.     0
       Variables:
  RCH                   1.107
  RCC                   1.536
  ACCH                111.2


eoi
#
cat fort.7
time
date
#
exit