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uid 3982
scaling factor multiple (3)

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Details

Properties

Number of atoms 62
Weight 524.1565 amu
Total energy -1610.631 Hartree
Zero-point energy 301.6719 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A"
Solo hydrogens 1
Duo hydrogens 4
Trio hydrogens 3
Quartet hydrogens 12
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)