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Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/
Dip++ (C32H16++)
Molecular Formula
C32H16++
Mass
400.125201 u.
InChIKey
DMMZPOXJIUJUOS-UHFFFAOYSA-N
InChI
1S/C32H16/c1-2-6-18-17(5-1)21-9-13-25-27-15-11-23-19-7-3-4-8-20(19)24-12-16-28(32(27)30(23)24)26-14-10-22(18)29(21)31(25)26/h1-16H/q+2
Related Molecules
Electronic States :




 
States found : 4

Task: OPTIMIZE C32H16++/2 DFT+D/B3LYP/D95V**

Energy
(eV)
-1228.797907

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**

Rotational Constants
(cm-1)

a
0.017190 b
0.002242 c
0.001983

Task: FREQUENCIES C32H16++/2 DFT+D/B3LYP/D95V**

Energy
(eV)
-1228.797907

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**

Rotational Constants
(cm-1)

a
0.017190 b
0.002242 c
0.001983

Vibration Analisys

Harmonic: link
Anharmonic: None

Task: OPTIMIZE C32H16++/2 DFT+D/B3LYP/D95V**

Energy
(eV)
-1228.792922

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**

Rotational Constants
(cm-1)

a
0.017057 b
0.002255 c
0.001992

Task: FREQUENCIES C32H16++/2 DFT+D/B3LYP/D95V**

Energy
(eV)
-1228.792922

Description
T0

Multiplicity
3

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**

Rotational Constants
(cm-1)

a
0.017057 b
0.002255 c
0.001992

Vibration Analisys

Harmonic: link
Anharmonic: None