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uid 495
scaling factor multiple (3)

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

Details

Properties

Number of atoms 17
Weight 116.0626 amu
Total energy -347.2763 Hartree
Zero-point energy 88.4336 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A'
Solo hydrogens 2
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 4
Quintet hydrogens 0
CH2 2
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)