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uid 414
scaling factor multiple (3)

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

Details

Properties

Number of atoms 21
Weight 161.0602 amu
Total energy -535.9318 Hartree
Zero-point energy 105.1028 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A
Solo hydrogens 1
Duo hydrogens 2
Trio hydrogens 3
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 1

Reference(s)

Comment(s)

History


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