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uid 161
scaling factor 0.958

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

Details

Properties

Number of atoms 30
Weight 250.0782 amu
Total energy -766.875 Hartree
Zero-point energy 145.432 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State C1
Solo hydrogens 0
Duo hydrogens 10
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)