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uid 622
scaling factor 0.958

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Details

Properties

Number of atoms 252
Weight 2628.282 amu
Total energy -8243.829 Hartree
Zero-point energy 1113.502 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State C2h
Solo hydrogens 24
Duo hydrogens 12
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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659 species present in version 1.32 of the theoretical database (Jun 1, 2013)