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uid 101
scaling factor multiple (3)

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

This species has a counterpart in the experimental library

Details

Properties

Number of atoms 68
Weight 596.1565 amu
Total energy -1838.807 Hartree
Zero-point energy 329.7307 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-AU
Solo hydrogens 4
Duo hydrogens 16
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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3,139 species present in version 3.00 of the theoretical database (Aug 18, 2017)