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uid 355
scaling factor 0.958

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Details

Properties

Number of atoms 42
Weight 240.1878 amu
Total energy -699.5092 Hartree
Zero-point energy 241.5919 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State D3
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 24
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)