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uid 612
scaling factor 0.958

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Details

Properties

Number of atoms 180
Weight 1830.235 amu
Total energy -5727.768 Hartree
Zero-point energy 809.1505 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State D6h
Solo hydrogens 18
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)