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uid 361
scaling factor 0.958

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

Details

Properties

Number of atoms 28
Weight 204.0939 amu
Total energy -615.912 Hartree
Zero-point energy 145.9567 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State C2
Solo hydrogens 0
Duo hydrogens 2
Trio hydrogens 6
Quartet hydrogens 0
Quintet hydrogens 0
CH2 4
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)