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uid 1050
scaling factor multiple (3)

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

Details

Properties

Number of atoms 54
Weight 428.1565 amu
Total energy -1306.061 Hartree
Zero-point energy 272.4767 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-AG
Solo hydrogens 4
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 16
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)