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uid 102
scaling factor 0.958

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Details

Properties

Number of atoms 68
Weight 596.1565 amu
Total energy -1838.489 Hartree
Zero-point energy 330.2598 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State D2
Solo hydrogens 4
Duo hydrogens 16
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)