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uid 167
scaling factor 0.958

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Details

Properties

Number of atoms 138
Weight 1370.203 amu
Total energy -4278.934 Hartree
Zero-point energy 626.309 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State D2h
Solo hydrogens 14
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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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)