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C96
uid 708
scaling factor 0.958

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

Details

Properties

Number of atoms 96
Weight 1152 amu
Total energy -3652.283 Hartree
Zero-point energy 358.2113 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State D6h
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
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)