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uid 273
scaling factor 0.958

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This species has a counterpart in the experimental library

Details

Properties

Number of atoms 24
Weight 178.0782 amu
Total energy -538.8436 Hartree
Zero-point energy 123.7472 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2v
Solo hydrogens 0
Duo hydrogens 2
Trio hydrogens 0
Quartet hydrogens 8
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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556 species present in version 1.00 of the theoretical database (Dec 2, 2008)