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uid 2090
scaling factor multiple (3)

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Details

Properties

Number of atoms 46
Weight 365.133 amu
Total energy -1113.936 Hartree
Zero-point energy 230.6036 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A"
Solo hydrogens 6
Duo hydrogens 0
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)