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uid 158
scaling factor multiple (3)

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Details

Properties

Number of atoms 64
Weight 526.1721 amu
Total energy -1611.55 Hartree
Zero-point energy 318.5013 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State ???
Solo hydrogens 6
Duo hydrogens 4
Trio hydrogens 12
Quartet hydrogens 0
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)