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 185
scaling factor 0.958

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

Details

Properties

Number of atoms 140
Weight 1350.235 amu
Total energy -4205.144 Hartree
Zero-point energy 645.9641 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State D2h
Solo hydrogens 8
Duo hydrogens 8
Trio hydrogens 6
Quartet hydrogens 8
Quintet hydrogens 0
CH2 0
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)