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uid 2100
scaling factor multiple (3)

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Details

Properties

Number of atoms 46
Weight 365.133 amu
Total energy -1113.929 Hartree
Zero-point energy 230.9093 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A
Solo hydrogens 4
Duo hydrogens 2
Trio hydrogens 3
Quartet hydrogens 8
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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3,139 species present in version 3.00 of the theoretical database (Aug 18, 2017)