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uid 330
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 18
Weight 128.0626 amu
Total energy -385.3967 Hartree
Zero-point energy 93.8786 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State D2h
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 8
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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