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uid 483
symmetry Cs
scaling factor 0.958

Details

Properties

Number of atoms 17
Weight 129.0578 amu
Total energy -401.3981 Hartree
Zero-point energy 86.2682 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 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)