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
-0.00107
-0.00810
0.00000
2
0.00107
0.00810
0.00000
3
-0.01584
-0.02660
0.00000
4
-0.00405
-0.02174
0.00000
5
0.00405
0.02174
0.00000
6
0.01584
0.02660
0.00000
7
-0.04949
0.04492
0.00000
8
-0.08595
0.02170
0.00000
9
0.08595
-0.02170
0.00000
10
0.04949
-0.04492
0.00000
11
0.01081
-0.06074
0.00000
12
0.01251
-0.05316
0.00000
13
-0.01251
0.05316
0.00000
14
-0.01081
0.06074
0.00000
15
0.00075
0.04900
0.00000
16
-0.00075
-0.04900
0.00000
17
0.03612
-0.09682
0.00000
18
-0.03612
0.09682
0.00000
19
0.00981
0.02552
0.00000
20
-0.00981
-0.02552
0.00000
21
0.01532
0.04751
0.00000
22
-0.01532
-0.04751
0.00000
23
0.05944
0.09891
0.00000
24
-0.05944
-0.09891
0.00000
25
-0.00394
-0.13151
0.00000
26
0.00394
0.13151
0.00000
27
-0.07589
0.05462
0.00000
28
0.07589
-0.05462
0.00000
29
-0.01213
0.05541
0.00000
30
0.01213
-0.05541
0.00000
31
0.09404
-0.06461
0.00000
32
-0.09404
0.06461
0.00000
33
0.02264
0.00765
0.00000
34
-0.02264
-0.00765
0.00000