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uid 104
scaling factor 0.958

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Details

Properties

Number of atoms 68
Weight 596.1565 amu
Total energy -1839.062 Hartree
Zero-point energy 326.6928 Kcal/mol
Scaling factor 0.958
Method UB3LYP
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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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)