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uid 494
scaling factor 0.958

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Details

Properties

Number of atoms 16
Weight 115.0548 amu
Total energy -346.4139 Hartree
Zero-point energy 81.7507 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 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)