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)
-0.23700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00029
0.00000
0.00002
2
-0.00029
0.00000
-0.00002
3
0.00036
0.00000
-0.00058
4
0.00008
0.00000
-0.00006
5
0.00036
0.00000
0.00058
6
0.00008
0.00000
0.00006
7
-0.00067
0.00000
-0.00008
8
0.00032
0.00000
0.00086
9
-0.00067
0.00000
0.00008
10
0.00032
0.00000
-0.00086
11
-0.01149
0.00000
0.01913
12
0.00229
0.00000
-0.00331
13
-0.01149
0.00000
-0.01913
14
0.00230
0.00000
0.00332
15
0.02714
0.00000
-0.00017
16
-0.00795
0.00000
-0.00014
17
0.02715
0.00000
0.00017
18
-0.00795
0.00000
0.00014
19
-0.02137
0.00000
0.03878
20
-0.02137
0.00000
-0.03878
21
0.00012
0.00000
0.00079
22
0.00012
0.00000
-0.00079
23
-0.31827
0.00000
0.00020
24
0.09199
0.00000
0.00246
25
-0.31830
0.00000
-0.00020
26
0.09202
0.00000
-0.00246
27
0.13202
0.00000
-0.23227
28
-0.02513
0.00000
0.04246
29
0.13203
0.00000
0.23229
30
-0.02515
0.00000
-0.04248
31
-0.00520
0.00000
-0.00988
32
-0.00520
0.00000
0.00989
33
0.26085
0.00000
-0.45314
34
0.26085
0.00000
0.45314