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 113
scaling factor multiple (3)

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

Details

Properties

Number of atoms 120
Weight 1176.188 amu
Total energy -3667.774 Hartree
Zero-point energy 550.4787 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State ???
Solo hydrogens 12
Duo hydrogens 12
Trio hydrogens 0
Quartet hydrogens 0
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:


3,139 species present in version 3.00 of the theoretical database (Aug 18, 2017)