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uid 128
scaling factor 0.958

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This species has a counterpart in the experimental library

Details

Properties

Number of atoms 52
Weight 448.1252 amu
Total energy -1379.855 Hartree
Zero-point energy 253.7131 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2v
Solo hydrogens 2
Duo hydrogens 8
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)