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uid 699
scaling factor multiple (4)

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

Details

Properties

Number of atoms 118
Weight 1174.172 amu
Total energy -3667.273 Hartree
Zero-point energy 534.7029 Kcal/mol
Scaling factor multiple (4)
Method RB3LYP
State 1-A'
Solo hydrogens 12
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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3,139 species present in version 3.00 of the theoretical database (Aug 18, 2017)