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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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
0.00669
-0.01301
0.00000
2
-0.00669
0.01301
0.00000
3
0.07681
-0.02335
0.00000
4
0.03046
0.02119
0.00000
5
-0.03046
-0.02118
0.00000
6
-0.07680
0.02334
0.00000
7
0.00359
-0.00572
0.00000
8
-0.03224
-0.00870
0.00000
9
0.03224
0.00870
0.00000
10
-0.00359
0.00573
0.00000
11
0.02749
0.01875
0.00000
12
-0.00993
-0.00677
0.00000
13
0.00993
0.00677
0.00000
14
-0.02749
-0.01875
0.00000
15
-0.03108
0.00538
0.00000
16
0.03108
-0.00538
0.00000
17
0.02592
0.00717
0.00000
18
-0.02592
-0.00717
0.00000
19
-0.04319
0.00835
0.00000
20
0.04319
-0.00835
0.00000
21
0.00607
-0.02167
0.00000
22
-0.00607
0.02167
0.00000
23
-0.22614
-0.16419
0.00000
24
0.22612
0.16418
0.00000
25
0.16144
0.12328
0.00000
26
-0.16143
-0.12327
0.00000
27
-0.35263
0.10906
0.00000
28
0.35261
-0.10905
0.00000
29
-0.01137
0.11073
0.00000
30
0.01137
-0.11072
0.00000
31
0.05044
-0.06270
0.00000
32
-0.05044
0.06270
0.00000
33
0.04713
-0.21337
0.00000
34
-0.04713
0.21335
0.00000