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)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
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)
-0.23700
Eigenvectors
#
X
Y
Z
1
-0.04377
0.00000
-0.01547
2
0.04377
0.00000
-0.01547
3
-0.03121
0.00000
0.05957
4
0.05431
0.00000
-0.05781
5
0.03121
0.00000
0.05957
6
-0.05431
0.00000
-0.05781
7
-0.07997
0.00000
-0.04720
8
-0.01582
0.00000
0.02438
9
0.07997
0.00000
-0.04720
10
0.01582
0.00000
0.02438
11
0.02169
0.00000
-0.02524
12
0.00577
0.00000
-0.00429
13
-0.02169
0.00000
-0.02524
14
-0.00577
0.00000
-0.00429
15
0.03119
0.00000
-0.00322
16
-0.00179
0.00000
0.00688
17
-0.03119
0.00000
-0.00322
18
0.00179
0.00000
0.00688
19
-0.01832
0.00000
0.02295
20
0.01832
0.00000
0.02295
21
-0.00332
0.00000
0.02737
22
0.00332
0.00000
0.02737
23
0.03518
0.00000
-0.11769
24
-0.00102
0.00000
-0.02091
25
-0.03518
0.00000
-0.11770
26
0.00102
0.00000
-0.02090
27
0.32029
0.00000
0.14181
28
0.01116
0.00000
-0.00141
29
-0.32028
0.00000
0.14180
30
-0.01116
0.00000
-0.00141
31
-0.17653
0.00000
0.11305
32
0.17653
0.00000
0.11305
33
-0.02068
0.00000
0.02888
34
0.02069
0.00000
0.02888