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uid 83
scaling factor 0.958

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

Details

Properties

Number of atoms 65
Weight 582.1409 amu
Total energy -1799.704 Hartree
Zero-point energy 309.8824 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State Cs
Solo hydrogens 6
Duo hydrogens 10
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 2
CHx 0

Reference(s)

Comment(s)

History


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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)