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uid 375
symmetry C1
scaling factor 0.958

Details

Properties

Number of atoms 19
Weight 129.0704 amu
Total energy -385.9523 Hartree
Zero-point energy 99.3641 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State C1
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 3
Quartet hydrogens 4
Quintet hydrogens 0
CH2 2
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)