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uid 106
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 60
Weight 522.1409 amu
Total energy -1609.196 Hartree
Zero-point energy 290.7839 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-B1
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 18
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)