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 379
scaling factor 0.958

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

Details

Properties

Number of atoms 40
Weight 304.1252 amu
Total energy -922.9755 Hartree
Zero-point energy 204.3941 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C1
Solo hydrogens 2
Duo hydrogens 6
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 8
CHx 0

Reference(s)

Comment(s)

History


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


700 species present in version 2.00 of the theoretical database (Oct 29, 2013)