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uid 306
scaling factor 0.958

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Details

Properties

Number of atoms 36
Weight 278.1096 amu
Total energy -845.4848 Hartree
Zero-point energy 183.005 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State C2v
Solo hydrogens 2
Duo hydrogens 4
Trio hydrogens 0
Quartet hydrogens 8
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)