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uid 391
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 32
Weight 252.0939 amu
Total energy -768.402 Hartree
Zero-point energy 161.2243 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State Cs
Solo hydrogens 1
Duo hydrogens 0
Trio hydrogens 3
Quartet hydrogens 8
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)