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uid 586
scaling factor 0.958

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

Details

Properties

Number of atoms 89
Weight 683.2739 amu
Total energy -2076.021 Hartree
Zero-point energy 459.1108 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2
Solo hydrogens 1
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 34
CHx 0

Reference(s)

Comment(s)

History


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659 species present in version 1.32 of the theoretical database (Jun 1, 2013)