PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
rhenium, dimer
7526 Rhenium, dimer
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ΔHf: 427.5 kcal/mol, REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
UHF FIELD=(0,0.00,0.01) TRIPLET PM7
Rhenium, dimer
H=427.5 HR=PW91D
Re 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Re 2.15694991 +1 0.0000000 +0 0.0000000 +0 1 0 0