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uid 296
scaling factor 0.958

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This species has a counterpart in the experimental library

Details

Properties

Number of atoms 29
Weight 229.0891 amu
Total energy -708.0227 Hartree
Zero-point energy 145.6348 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State Cs
Solo hydrogens 1
Duo hydrogens 6
Trio hydrogens 0
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)