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)
-0.17100
Eigenvectors
#
X
Y
Z
1
-0.00075
0.00000
0.00826
2
0.00075
0.00000
0.00826
3
-0.00829
0.00000
0.05412
4
0.01323
0.00000
-0.00962
5
0.00829
0.00000
0.05412
6
-0.01323
0.00000
-0.00962
7
-0.03239
0.00000
0.06977
8
0.05472
0.00000
-0.00649
9
0.03239
0.00000
0.06977
10
-0.05472
0.00000
-0.00649
11
-0.04522
0.00000
-0.01668
12
0.06720
0.00000
-0.04248
13
0.04522
0.00000
-0.01668
14
-0.06720
0.00000
-0.04248
15
-0.01296
0.00000
-0.05212
16
0.05213
0.00000
-0.04124
17
0.01296
0.00000
-0.05212
18
-0.05213
0.00000
-0.04124
19
-0.00818
0.00000
0.08904
20
0.00818
0.00000
0.08904
21
-0.01343
0.00000
-0.04536
22
0.01343
0.00000
-0.04536
23
-0.01374
0.00000
-0.06441
24
0.05229
0.00000
-0.00810
25
0.01374
0.00000
-0.06440
26
-0.05229
0.00000
-0.00810
27
-0.10741
0.00000
-0.05193
28
0.05157
0.00000
-0.05287
29
0.10741
0.00000
-0.05193
30
-0.05157
0.00000
-0.05287
31
0.04560
0.00000
-0.00403
32
-0.04560
0.00000
-0.00403
33
-0.00035
0.00000
0.09587
34
0.00035
0.00000
0.09587