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uid 752
scaling factor multiple (3)

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

Details

Properties

Number of atoms 176
Weight 1782.235 amu
Total energy -5575.509 Hartree
Zero-point energy 793.3761 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-AG
Solo hydrogens 14
Duo hydrogens 16
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)