Charge: 2
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.42730
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.09388 b
(cm-1)
0.02232 c
(cm-1)
0.01803
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01796
0.02531
0.00000
2
-0.01796
-0.02531
0.00000
3
0.01795
-0.02531
0.00000
4
-0.01795
0.02531
0.00000
5
0.01987
-0.03875
0.00000
6
-0.01987
0.03875
0.00000
7
0.01987
0.03875
0.00000
8
-0.01987
-0.03875
0.00000
9
-0.07271
0.05344
0.00000
10
0.07271
-0.05344
0.00000
11
-0.07271
-0.05345
0.00000
12
0.07271
0.05345
0.00000
13
-0.03117
-0.04581
0.00000
14
0.03118
0.04581
0.00000
15
-0.03117
0.04581
0.00000
16
0.03118
-0.04581
0.00000
17
0.12667
-0.31296
0.00000
18
-0.12667
0.31296
0.00000
19
0.12668
0.31297
0.00000
20
-0.12668
-0.31297
0.00000