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uid 339
scaling factor 0.958

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

Details

Properties

Number of atoms 30
Weight 184.1252 amu
Total energy -542.3776 Hartree
Zero-point energy 165.2097 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State D2h
Solo hydrogens 0
Duo hydrogens 4
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 12
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)