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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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
-0.00002
0.02319
0.00000
2
0.00002
-0.02319
0.00000
3
-0.03230
-0.01279
0.00000
4
-0.00009
0.02405
0.00000
5
0.00009
-0.02405
0.00000
6
0.03230
0.01279
0.00000
7
0.01214
0.06425
0.00000
8
0.01100
-0.06565
0.00000
9
-0.01100
0.06565
0.00000
10
-0.01214
-0.06425
0.00000
11
0.03605
-0.00695
0.00000
12
0.00959
0.05322
0.00000
13
-0.00959
-0.05322
0.00000
14
-0.03605
0.00695
0.00000
15
0.01651
0.05347
0.00000
16
-0.01651
-0.05347
0.00000
17
-0.07867
-0.02424
0.00000
18
0.07867
0.02424
0.00000
19
0.09150
-0.00268
0.00000
20
-0.09150
0.00268
0.00000
21
-0.02771
-0.02842
0.00000
22
0.02771
0.02842
0.00000
23
-0.07202
-0.02042
0.00000
24
0.07202
0.02042
0.00000
25
0.04985
0.09422
0.00000
26
-0.04985
-0.09422
0.00000
27
-0.13579
0.07545
0.00000
28
0.13579
-0.07545
0.00000
29
-0.03913
0.05481
0.00000
30
0.03913
-0.05481
0.00000
31
0.02426
-0.12098
0.00000
32
-0.02426
0.12098
0.00000
33
-0.06238
0.11246
0.00000
34
0.06238
-0.11246
0.00000