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uid 413
scaling factor multiple (3)

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Details

Properties

Number of atoms 21
Weight 161.0602 amu
Total energy -535.9301 Hartree
Zero-point energy 105.1324 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A
Solo hydrogens 2
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 4
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)