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uid 611
scaling factor 0.958

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Details

Properties

Number of atoms 134
Weight 1300.219 amu
Total energy -4051.616 Hartree
Zero-point energy 618.0095 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2v
Solo hydrogens 8
Duo hydrogens 10
Trio hydrogens 6
Quartet hydrogens 4
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)