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uid 555
scaling factor 0.958

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This species has a counterpart in the experimental library

Details

Properties

Number of atoms 58
Weight 498.1409 amu
Total energy -1533.302 Hartree
Zero-point energy 283.6373 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2h
Solo hydrogens 0
Duo hydrogens 12
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)