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uid 342
scaling factor 0.958

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

Details

Properties

Number of atoms 31
Weight 218.1096 amu
Total energy -655.4364 Hartree
Zero-point energy 164.6151 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C1
Solo hydrogens 1
Duo hydrogens 0
Trio hydrogens 3
Quartet hydrogens 4
Quintet hydrogens 0
CH2 6
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)