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 716
scaling factor multiple (4)

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

Details

Properties

Number of atoms 84
Weight 810.1409 amu
Total energy -2522.693 Hartree
Zero-point energy 386.5953 Kcal/mol
Scaling factor multiple (4)
Method UB3LYP
State 2-A2
Solo hydrogens 8
Duo hydrogens 10
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)