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uid 496
scaling factor 0.958

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Details

Properties

Number of atoms 17
Weight 116.0626 amu
Total energy -347.0286 Hartree
Zero-point energy 88.8024 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State Cs
Solo hydrogens 2
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 4
Quintet hydrogens 0
CH2 2
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)