Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+1
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.44300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.02100
Eigenvectors
#
X
Y
Z
1
0.00842
0.00000
-0.04873
2
0.02095
0.00000
0.05074
3
0.00493
0.00000
0.00314
4
0.00719
0.00000
-0.08159
5
-0.01046
0.00000
-0.00248
6
0.01220
0.00000
0.07770
7
0.01797
0.00000
0.02333
8
-0.01804
0.00000
0.05216
9
0.03047
0.00000
-0.02660
10
-0.02236
0.00000
-0.04928
11
-0.03113
0.00000
-0.02721
12
-0.04186
0.00000
-0.07219
13
-0.04221
0.00000
0.03619
14
-0.03222
0.00000
0.06287
15
0.01670
0.00000
0.01067
16
0.01804
0.00000
0.10994
17
0.02303
0.00000
-0.01837
18
0.01328
0.00000
-0.09739
19
-0.00392
0.00000
-0.01520
20
-0.01707
0.00000
0.01871
21
-0.00180
0.00000
0.05794
22
-0.01006
0.00000
-0.06269
23
0.02103
0.00000
0.00917
24
0.02607
0.00000
-0.15266
25
0.02830
0.00000
-0.00014
26
0.02030
0.00000
0.13438
27
0.06145
0.00000
0.02151
28
0.10884
0.00000
0.00893
29
0.07887
0.00000
-0.02737
30
0.09345
0.00000
-0.00433
31
0.09344
0.00000
-0.00254
32
0.08905
0.00000
0.00551
33
0.02825
0.00000
0.00199
34
0.04088
0.00000
-0.01399