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uid 340
scaling factor 0.958

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Details

Properties

Number of atoms 26
Weight 180.0939 amu
Total energy -540.0433 Hartree
Zero-point energy 138.3207 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 8
Quintet hydrogens 0
CH2 4
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)