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uid 156
scaling factor 0.958

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Details

Properties

Number of atoms 64
Weight 526.1721 amu
Total energy -1611.769 Hartree
Zero-point energy 318.2912 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State D2h
Solo hydrogens 6
Duo hydrogens 4
Trio hydrogens 12
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)