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uid 407
scaling factor multiple (3)

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Details

Properties

Number of atoms 21
Weight 161.0602 amu
Total energy -536.1742 Hartree
Zero-point energy 104.2198 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A
Solo hydrogens 1
Duo hydrogens 2
Trio hydrogens 3
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 1

Reference(s)

Comment(s)

History


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