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)
0.11300
Diff mu Y
(Debye)
0.44200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05048
0.00642
0.00000
2
-0.05048
0.00642
0.00000
3
0.01783
0.00936
0.00000
4
-0.05361
-0.05506
0.00000
5
-0.05361
-0.05506
0.00000
6
0.01783
0.00936
0.00000
7
0.03474
0.00734
0.00000
8
-0.01449
-0.06354
0.00000
9
-0.01448
-0.06354
0.00000
10
0.03474
0.00735
0.00000
11
0.03329
0.02141
0.00000
12
-0.02438
-0.05414
0.00000
13
-0.02438
-0.05414
0.00000
14
0.03329
0.02141
0.00000
15
0.04188
-0.06448
0.00000
16
0.04188
-0.06448
0.00000
17
0.00288
0.06301
0.00000
18
0.00288
0.06301
0.00000
19
0.00635
0.07906
0.00000
20
0.00635
0.07906
0.00000
21
0.00656
0.05163
0.00000
22
0.00656
0.05164
0.00000
23
0.02872
-0.07621
0.00000
24
0.02872
-0.07621
0.00000
25
-0.01981
0.04468
0.00000
26
-0.01981
0.04469
0.00000
27
0.01649
0.07774
0.00000
28
0.01648
0.07774
0.00000
29
-0.03688
0.00576
0.00000
30
-0.03689
0.00576
0.00000
31
0.00004
-0.13249
0.00000
32
0.00004
-0.13249
0.00000
33
0.00471
0.06858
0.00000
34
0.00471
0.06858
0.00000