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 401
scaling factor 0.958

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



Number of atoms 21
Weight 161.0602 amu
Total energy -536.1699 Hartree
Zero-point energy 103.9989 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State C1
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 6
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 1




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)