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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
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)
0.02800
Diff mu Y
(Debye)
-0.12100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.10542
-0.04838
0.00000
2
-0.10542
-0.04838
0.00000
3
-0.05177
-0.04816
0.00000
4
-0.01776
0.03207
0.00000
5
-0.01776
0.03207
0.00000
6
-0.05177
-0.04816
0.00000
7
0.00215
0.01482
0.00000
8
0.07370
0.05246
0.00000
9
0.07370
0.05247
0.00000
10
0.00215
0.01482
0.00000
11
-0.02061
0.01458
0.00000
12
0.06428
-0.01274
0.00000
13
0.06428
-0.01274
0.00000
14
-0.02061
0.01458
0.00000
15
0.02029
-0.02049
0.00000
16
0.02029
-0.02049
0.00000
17
-0.01688
0.02259
0.00000
18
-0.01688
0.02259
0.00000
19
-0.00664
-0.02926
0.00000
20
-0.00664
-0.02926
0.00000
21
0.04918
0.01882
0.00000
22
0.04918
0.01882
0.00000
23
-0.06351
-0.09726
0.00000
24
-0.06350
-0.09725
0.00000
25
0.02717
0.06209
0.00000
26
0.02717
0.06209
0.00000
27
-0.03923
-0.01767
0.00000
28
-0.03922
-0.01767
0.00000
29
0.06826
-0.01181
0.00000
30
0.06826
-0.01181
0.00000
31
0.07510
0.06349
0.00000
32
0.07509
0.06349
0.00000
33
0.04507
0.04484
0.00000
34
0.04507
0.04484
0.00000