Charge: -1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q-1
Electronic States
Energy
(eV)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
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)
-0.29700
Eigenvectors
#
X
Y
Z
1
0.01311
0.00000
0.02259
2
-0.01311
0.00000
0.02259
3
0.00652
0.00000
-0.02653
4
-0.01298
0.00000
0.04855
5
-0.00652
0.00000
-0.02653
6
0.01298
0.00000
0.04855
7
0.00431
0.00000
-0.04591
8
-0.06201
0.00000
-0.05211
9
-0.00431
0.00000
-0.04591
10
0.06202
0.00000
-0.05211
11
-0.02634
0.00000
0.00122
12
0.00986
0.00000
-0.06185
13
0.02634
0.00000
0.00122
14
-0.00986
0.00000
-0.06186
15
0.00692
0.00000
0.00474
16
0.08597
0.00000
0.05196
17
-0.00692
0.00000
0.00474
18
-0.08598
0.00000
0.05197
19
-0.01699
0.00000
0.03320
20
0.01699
0.00000
0.03320
21
0.03090
0.00000
0.01916
22
-0.03090
0.00000
0.01916
23
0.00704
0.00000
-0.08898
24
0.09145
0.00000
0.26274
25
-0.00704
0.00000
-0.08898
26
-0.09145
0.00000
0.26275
27
0.00237
0.00000
0.01854
28
-0.03334
0.00000
-0.09784
29
-0.00237
0.00000
0.01854
30
0.03335
0.00000
-0.09784
31
-0.15414
0.00000
-0.00730
32
0.15415
0.00000
-0.00730
33
-0.12773
0.00000
-0.02783
34
0.12773
0.00000
-0.02783