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uid 3271
scaling factor multiple (3)

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Details

Properties

Number of atoms 112
Weight 1069.196 amu
Total energy -3326.544 Hartree
Zero-point energy 518.4093 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A2
Solo hydrogens 13
Duo hydrogens 12
Trio hydrogens 0
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)