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uid 519
scaling factor multiple (3)

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Details

Properties

Number of atoms 20
Weight 141.0704 amu
Total energy -424.0133 Hartree
Zero-point energy 102.8803 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A"
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 3
Quartet hydrogens 4
Quintet hydrogens 0
CH2 2
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)