Cluster
monomer C34H16
type tetramer
conformation herringbone
scaling factor multiple (3)
0500400010002000300020.002.506.675.004.003.332.86integrated absorbance [km/mol]wavelength [µm]frequency [cm⁻¹]

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

Details

Properties

Weight 1696.501 amu
Total energy -5215.386 Hartree
Zero-point energy 985.9294 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A

Reference(s)

Comment(s)

History


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