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uid 177
scaling factor 0.958

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

Details

Properties

Number of atoms 128
Weight 1250.203 amu
Total energy -3898.17 Hartree
Zero-point energy 588.3008 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State D2h
Solo hydrogens 8
Duo hydrogens 12
Trio hydrogens 6
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)