An older version of the theoretical database is currently selected, click here to switch to the latest
You need a browser with JavaScript support in order to view the molecule in 3D
uid 340
scaling factor 0.958

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

Details

Properties

Number of atoms 26
Weight 180.0939 amu
Total energy -540.0433 Hartree
Zero-point energy 138.3357 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 8
Quintet hydrogens 0
CH2 4
CHx 0

Reference(s)

Comment(s)

History


You are kindly asked to consider the following references for citation when using the database:


556 species present in version 1.00 of the theoretical database (Dec 2, 2008)