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 1724
scaling factor multiple (3)

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

Details

Properties

Number of atoms 50
Weight 402.1409 amu
Total energy -1228.745 Hartree
Zero-point energy 251.2377 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A
Solo hydrogens 1
Duo hydrogens 2
Trio hydrogens 3
Quartet hydrogens 12
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)