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uid 189
scaling factor 0.958

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

Details

Properties

Number of atoms 124
Weight 1180.219 amu
Total energy -3670.874 Hartree
Zero-point energy 576.1976 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2h
Solo hydrogens 8
Duo hydrogens 12
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 8
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)