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uid 113
scaling factor 0.958

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

Details

Properties

Number of atoms 120
Weight 1176.188 amu
Total energy -3667.774 Hartree
Zero-point energy 550.4787 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State C2h
Solo hydrogens 12
Duo hydrogens 12
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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556 species present in version 1.00 of the theoretical database (Dec 2, 2008)