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uid 310
scaling factor 0.958

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Details

Properties

Number of atoms 35
Weight 279.1048 amu
Total energy -861.5043 Hartree
Zero-point energy 169.9887 Kcal/mol
Scaling factor 0.958
Method UBP86
State C2v
Solo hydrogens 1
Duo hydrogens 4
Trio hydrogens 0
Quartet hydrogens 8
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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556 species present in version 1.00 of the theoretical database (Dec 2, 2008)