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uid 1
scaling factor multiple (3)

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Details

Properties

Number of atoms 27
Weight 203.0861 amu
Total energy -615.3079 Hartree
Zero-point energy 138.5093 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A1
Solo hydrogens 2
Duo hydrogens 4
Trio hydrogens 3
Quartet hydrogens 0
Quintet hydrogens 0
CH2 2
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)