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uid 332
symmetry C2
scaling factor 0.958

Details

Properties

Number of atoms 22
Weight 132.0939 amu
Total energy -387.807 Hartree
Zero-point energy 123.0737 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 4
Quintet hydrogens 0
CH2 8
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)