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
0.01667
-0.02884
0.00000
2
-0.01667
0.02884
0.00000
3
-0.00717
0.02115
0.00000
4
-0.02496
0.04088
0.00000
5
0.02496
-0.04088
0.00000
6
0.00717
-0.02115
0.00000
7
0.02755
-0.02689
0.00000
8
-0.01377
0.02164
0.00000
9
0.01377
-0.02164
0.00000
10
-0.02755
0.02689
0.00000
11
-0.03319
-0.00870
0.00000
12
0.04917
-0.07786
0.00000
13
-0.04917
0.07786
0.00000
14
0.03319
0.00870
0.00000
15
0.07319
0.01302
0.00000
16
-0.07319
-0.01302
0.00000
17
-0.03460
-0.03864
0.00000
18
0.03460
0.03864
0.00000
19
0.00152
0.04213
0.00000
20
-0.00152
-0.04213
0.00000
21
0.00994
-0.02971
0.00000
22
-0.00994
0.02971
0.00000
23
-0.18922
-0.22576
0.00000
24
0.18922
0.22576
0.00000
25
0.12072
0.10350
0.00000
26
-0.12072
-0.10350
0.00000
27
0.07476
0.02147
0.00000
28
-0.07476
-0.02147
0.00000
29
0.01514
-0.23934
0.00000
30
-0.01514
0.23934
0.00000
31
0.01168
0.01548
0.00000
32
-0.01168
-0.01548
0.00000
33
-0.00194
0.05017
0.00000
34
0.00194
-0.05017
0.00000