uid 3619
scaling factor multiple (3)
050040001500250020.002.506.674.0010000integrated absorbance [km/mol]wavelength [µm]frequency [cm⁻¹]

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

Details

Properties

Number of atoms 90
Weight 750.2347 amu
Total energy -2301.72 Hartree
Zero-point energy 441.9098 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A
Solo hydrogens 4
Duo hydrogens 2
Trio hydrogens 12
Quartet hydrogens 12
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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4,233 species present in version 3.20 of the theoretical database (Sep 12, 2019)