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uid 353
symmetry C2h
scaling factor 0.958

Details

Properties

Number of atoms 28
Weight 138.1409 amu
Total energy -391.4307 Hartree
Zero-point energy 167.2779 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2h
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 16
CHx 2

Reference(s)

Comment(s)

History


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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)