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uid 4036
scaling factor multiple (3)

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Details

Properties

Number of atoms 186
Weight 1836.282 amu
Total energy -5731.13 Hartree
Zero-point energy 852.1917 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A
Solo hydrogens 1
Duo hydrogens 14
Trio hydrogens 21
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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4,233 species present in version 3.20 of the theoretical database (Sep 12, 2019)