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uid 2258
scaling factor multiple (3)

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Details

Properties

Number of atoms 42
Weight 339.1174 amu
Total energy -1036.623 Hartree
Zero-point energy 209.5267 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A
Solo hydrogens 2
Duo hydrogens 2
Trio hydrogens 3
Quartet hydrogens 8
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)