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)
-0.01000
Diff mu Y
(Debye)
-0.16300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04514
0.01006
0.00000
2
-0.04514
0.01006
0.00000
3
0.01305
0.01714
0.00000
4
-0.04683
-0.05907
0.00000
5
-0.04683
-0.05907
0.00000
6
0.01305
0.01714
0.00000
7
0.02954
0.01376
0.00000
8
-0.02819
-0.05489
0.00000
9
-0.02819
-0.05489
0.00000
10
0.02954
0.01376
0.00000
11
0.02637
0.02192
0.00000
12
-0.01809
-0.06341
0.00000
13
-0.01809
-0.06341
0.00000
14
0.02637
0.02192
0.00000
15
0.04020
-0.07514
0.00000
16
0.04020
-0.07514
0.00000
17
0.00421
0.05765
0.00000
18
0.00421
0.05765
0.00000
19
0.00966
0.07565
0.00000
20
0.00966
0.07565
0.00000
21
0.01702
0.05663
0.00000
22
0.01702
0.05663
0.00000
23
0.01556
-0.09755
0.00000
24
0.01556
-0.09755
0.00000
25
-0.01178
0.04265
0.00000
26
-0.01178
0.04265
0.00000
27
0.01325
0.07592
0.00000
28
0.01325
0.07592
0.00000
29
-0.03294
-0.00160
0.00000
30
-0.03294
-0.00160
0.00000
31
-0.01818
-0.10404
0.00000
32
-0.01818
-0.10404
0.00000
33
0.01266
0.08094
0.00000
34
0.01266
0.08094
0.00000