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uid 148
scaling factor 0.958

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Details

Properties

Number of atoms 68
Weight 596.1565 amu
Total energy -1839.071 Hartree
Zero-point energy 316.2409 Kcal/mol
Scaling factor 0.958
Method UBP86
State C2v
Solo hydrogens 4
Duo hydrogens 8
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)