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uid 507
scaling factor 0.958

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Details

Properties

Number of atoms 22
Weight 158.0732 amu
Total energy -499.7613 Hartree
Zero-point energy 114.0074 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State Cs
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 3
Quartet hydrogens 4
Quintet hydrogens 0
CH2 2
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)