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uid 382
symmetry D2h
scaling factor 0.958

Details

Properties

Number of atoms 18
Weight 128.0626 amu
Total energy -385.3644 Hartree
Zero-point energy 89.9892 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State D2h
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 8
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)