1. %NProcShared=2
#n RHF/6-31G(d) Opt Freq gfoldprint pop=full
Title
0 1
H -0.52780 0.70110 0.00000
Nb 1.13220 0.71220 0.00000
%NProcShared=2
#n RHF/6-31G(d) Opt Freq gfoldprint pop=full
Title—FORMALDEHYDE at rhf
0 1
H 0.48384 -0.15591 0.97346
C 0.01306 0.00032 0.00148
H 0.68393 0.18542 -0.83900
O -1.18084 -0.02983 -0.13594
THIS WI LL GIVE PHOTO ELECTRON—NEED RAMAN COMMAND
%NProcShared=2
#n RHF/6-31G(d) Opt Freq gfoldprint pop=full
Title-niobium trimer Annette ready
0 1
Nb 0.48384 -0.15591 0.97346
Nb 0.01306 0.00032 0.00148
Nb 0.68393 0.18542 -0.83900

2. %NProcShared=2
#n B3LYP/6-31G(d) Opt Freq gfoldprint pop=full
Formaldehye at b3lyp
0 1
H 0.48384 -0.15591 0.97346
C 0.01306 0.00032 0.00148
H 0.68393 0.18542 -0.83900
O -1.18084 -0.02983 -0.13594