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uid 15
scaling factor 0.958

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

Details

Properties

Number of atoms 21
Weight 131.0861 amu
Total energy -386.9341 Hartree
Zero-point energy 115.6163 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C1
Solo hydrogens 1
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 4
Quintet hydrogens 0
CH2 6
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)