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uid 279
scaling factor 0.958

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

Details

Properties

Number of atoms 23
Weight 179.0735 amu
Total energy -554.8587 Hartree
Zero-point energy 109.5371 Kcal/mol
Scaling factor 0.958
Method UBP86
State Cs
Solo hydrogens 1
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 8
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)