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uid 512
scaling factor 0.958

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Details

Properties

Number of atoms 17
Weight 127.0548 amu
Total energy -384.423 Hartree
Zero-point energy 85.2895 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State Cs
Solo hydrogens 1
Duo hydrogens 2
Trio hydrogens 0
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)