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uid 384
scaling factor 0.958

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Details

Properties

Number of atoms 19
Weight 129.0704 amu
Total energy -385.9493 Hartree
Zero-point energy 97.3691 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State Cs
Solo hydrogens 1
Duo hydrogens 2
Trio hydrogens 0
Quartet hydrogens 4
Quintet hydrogens 0
CH2 2
CHx 0

Reference(s)

Comment(s)

History


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556 species present in version 1.00 of the theoretical database (Dec 2, 2008)