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uid 73
scaling factor 0.958

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Details

Properties

Number of atoms 41
Weight 338.1096 amu
Total energy -1035.986 Hartree
Zero-point energy 201.1409 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2v
Solo hydrogens 4
Duo hydrogens 8
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 2
CHx 0

Reference(s)

Comment(s)

History


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556 species present in version 1.00 of the theoretical database (Dec 2, 2008)