Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+1
Electronic States
Energy
(eV)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
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
0.05070
0.10247
0.00000
2
-0.05070
-0.10247
0.00000
3
0.00734
-0.04297
0.00000
4
0.06376
-0.01011
0.00000
5
-0.06376
0.01011
0.00000
6
-0.00734
0.04297
0.00000
7
-0.06686
-0.00801
0.00000
8
0.00615
0.03792
0.00000
9
-0.00615
-0.03792
0.00000
10
0.06686
0.00801
0.00000
11
0.00418
-0.02879
0.00000
12
-0.01569
0.04589
0.00000
13
0.01569
-0.04589
0.00000
14
-0.00418
0.02879
0.00000
15
0.00202
0.03621
0.00000
16
-0.00202
-0.03621
0.00000
17
0.01354
0.02767
0.00000
18
-0.01354
-0.02767
0.00000
19
-0.00468
-0.00305
0.00000
20
0.00468
0.00305
0.00000
21
0.02299
-0.01554
0.00000
22
-0.02299
0.01554
0.00000
23
-0.05073
-0.00444
0.00000
24
0.05073
0.00444
0.00000
25
-0.04049
-0.01567
0.00000
26
0.04049
0.01567
0.00000
27
-0.04754
0.01349
0.00000
28
0.04754
-0.01349
0.00000
29
0.00243
0.02891
0.00000
30
-0.00243
-0.02891
0.00000
31
-0.06717
0.28324
0.00000
32
0.06717
-0.28324
0.00000
33
-0.00990
0.17179
0.00000
34
0.00990
-0.17179
0.00000