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uid 516
scaling factor multiple (3)

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Details

Properties

Number of atoms 23
Weight 177.0704 amu
Total energy -537.8919 Hartree
Zero-point energy 115.3715 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 3-A"
Solo hydrogens 3
Duo hydrogens 2
Trio hydrogens 0
Quartet hydrogens 4
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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4,233 species present in version 3.20 of the theoretical database (Sep 12, 2019)