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uid 241
scaling factor 0.958

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Details

Properties

Number of atoms 71
Weight 669.1279 amu
Total energy -2102.493 Hartree
Zero-point energy 332.7518 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2v
Solo hydrogens 5
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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556 species present in version 1.00 of the theoretical database (Dec 2, 2008)