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uid 134
scaling factor 0.958

TransitionsLeft-clk & drag: Zoom; Right-clk: reset

This species has a counterpart in the experimental library

Details

Properties

Number of atoms 60
Weight 522.1409 amu
Total energy -1609.426 Hartree
Zero-point energy 291.7651 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2v
Solo hydrogens 0
Duo hydrogens 6
Trio hydrogens 12
Quartet hydrogens 0
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)