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uid 281
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 30
Weight 228.0939 amu
Total energy -692.036 Hartree
Zero-point energy 153.4519 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State Cs
Solo hydrogens 2
Duo hydrogens 2
Trio hydrogens 0
Quartet hydrogens 8
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)