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uid 442
scaling factor 0.958

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Details

Properties

Number of atoms 28
Weight 219.081 amu
Total energy -690.3958 Hartree
Zero-point energy 140.4649 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C1
Solo hydrogens 2
Duo hydrogens 4
Trio hydrogens 3
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 1

Reference(s)

Comment(s)

History


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659 species present in version 1.32 of the theoretical database (Jun 1, 2013)