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uid 153
scaling factor 0.958

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Details

Properties

Number of atoms 44
Weight 374.1096 amu
Total energy -1150.043 Hartree
Zero-point energy 215.9408 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State D2h
Solo hydrogens 4
Duo hydrogens 4
Trio hydrogens 6
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)