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uid 491
scaling factor multiple (3)

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

Details

Properties

Number of atoms 23
Weight 179.0735 amu
Total energy -554.8365 Hartree
Zero-point energy 115.8791 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A'
Solo hydrogens 3
Duo hydrogens 2
Trio hydrogens 0
Quartet hydrogens 4
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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4,233 species present in version 3.20 of the theoretical database (Sep 12, 2019)