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uid 131
scaling factor 0.958

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This species has a counterpart in the experimental library

Details

Properties

Number of atoms 58
Weight 498.1409 amu
Total energy -1533.3 Hartree
Zero-point energy 283.4719 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2v
Solo hydrogens 2
Duo hydrogens 6
Trio hydrogens 6
Quartet hydrogens 4
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)