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uid 522
scaling factor multiple (3)

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Details

Properties

Number of atoms 20
Weight 141.0704 amu
Total energy -423.7766 Hartree
Zero-point energy 104.5 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A'
Solo hydrogens 1
Duo hydrogens 2
Trio hydrogens 0
Quartet hydrogens 4
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)