%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 0.0000...
%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 0.0130...
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Title niobium trimer annette ready

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Title niobium trimer annette ready

  1. 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. 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

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