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uid 510
id 20027
symmetry Cs
scaling factor 0.958

Details

Properties

Number of atoms 17
Weight 127.0548 amu
Total energy -384.4259 Hartree
Zero-point energy 85.5071 Kcal/mol
Scaling factor 0.958
Method UB3LYP
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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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)