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uid 564
scaling factor 0.958

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

Details

Properties

Number of atoms 122
Weight 1178.203 amu
Total energy -3669.666 Hartree
Zero-point energy 561.5812 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State D2h
Solo hydrogens 16
Duo hydrogens 4
Trio hydrogens 6
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
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)