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uid 213
scaling factor 0.958

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Details

Properties

Number of atoms 75
Weight 669.1643 amu
Total energy -2067.823 Hartree
Zero-point energy 361.7786 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C1
Solo hydrogens 5
Duo hydrogens 10
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 6
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)