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uid 181
scaling factor 0.958

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Details

Properties

Number of atoms 128
Weight 1250.203 amu
Total energy -3897.98 Hartree
Zero-point energy 588.5367 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State C2h
Solo hydrogens 12
Duo hydrogens 8
Trio hydrogens 6
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)