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uid 2229
scaling factor multiple (3)

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Details

Properties

Number of atoms 42
Weight 350.1096 amu
Total energy -1074.097 Hartree
Zero-point energy 205.7227 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 3-A'
Solo hydrogens 3
Duo hydrogens 2
Trio hydrogens 9
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)