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uid 297
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 29
Weight 229.0891 amu
Total energy -708.297 Hartree
Zero-point energy 146.1029 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State Cs
Solo hydrogens 0
Duo hydrogens 4
Trio hydrogens 3
Quartet hydrogens 4
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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556 species present in version 1.00 of the theoretical database (Dec 2, 2008)