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uid 1489
scaling factor multiple (3)

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

Details

Properties

Number of atoms 52
Weight 415.1487 amu
Total energy -1267.388 Hartree
Zero-point energy 260.7225 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A"
Solo hydrogens 2
Duo hydrogens 6
Trio hydrogens 3
Quartet hydrogens 8
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)