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uid 183
scaling factor 0.958

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Details

Properties

Number of atoms 140
Weight 1350.235 amu
Total energy -4205.063 Hartree
Zero-point energy 648.0292 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State D2h
Solo hydrogens 8
Duo hydrogens 8
Trio hydrogens 6
Quartet hydrogens 8
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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659 species present in version 1.32 of the theoretical database (Jun 1, 2013)