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 187
scaling factor 0.958

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

Details

Properties

Number of atoms 156
Weight 1476.282 amu
Total energy -4589.085 Hartree
Zero-point energy 728.8049 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State D2h
Solo hydrogens 12
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 24
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)