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uid 772
scaling factor multiple (3)

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

Details

Properties

Number of atoms 168
Weight 1686.235 amu
Total energy -5270.991 Hartree
Zero-point energy 761.8115 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A1G
Solo hydrogens 6
Duo hydrogens 24
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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3,139 species present in version 3.00 of the theoretical database (Aug 18, 2017)