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uid 371
scaling factor 0.958

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Details

Properties

Number of atoms 38
Weight 280.1252 amu
Total energy -846.678 Hartree
Zero-point energy 191.0954 Kcal/mol
Scaling factor 0.958
Method UBP86
State C2h
Solo hydrogens 0
Duo hydrogens 4
Trio hydrogens 0
Quartet hydrogens 8
Quintet hydrogens 0
CH2 4
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)