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 137
scaling factor 0.958

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

This species has a counterpart in the experimental library

Details

Properties

Number of atoms 64
Weight 526.1721 amu
Total energy -1611.741 Hartree
Zero-point energy 318.5483 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State Cs
Solo hydrogens 2
Duo hydrogens 2
Trio hydrogens 6
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:


659 species present in version 1.32 of the theoretical database (Jun 1, 2013)