G2 Calculated Energies (hartrees)
Energy
ZPE (H7)
ZPE(D7)
DMF
-248.05243
0.09748888
0.0849176
HC(O)N(CH3)CH2
-247.43293
0.08500283
0.0748541
C(O)N(CH3)2
-247.41045
0.08546151
0.0747122
N(CH3)2
-134.23355
0.07464046
HCO
-113.69883
0.01284
H
-0.5
1 hartree = 627.5 kcal/mole
Introduction
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Experimental
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Theory
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Conclusions
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References
Page maintained by Joe Durant
<jdurant@ca.sandia.gov>
Last updated 5/25/95