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uid 3821
scaling factor multiple (3)

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

Details

Properties

Number of atoms 82
Weight 676.2191 amu
Total energy -2071.886 Hartree
Zero-point energy 407.5868 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A"
Solo hydrogens 4
Duo hydrogens 2
Trio hydrogens 6
Quartet hydrogens 16
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)