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)
0.55100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01158
0.00000
0.03162
2
0.01159
0.00000
-0.03162
3
-0.02331
0.00000
0.02635
4
0.04246
0.00000
-0.02943
5
-0.02331
0.00000
-0.02635
6
0.04246
0.00000
0.02944
7
-0.05533
0.00000
0.03437
8
0.05306
0.00000
-0.04588
9
-0.05533
0.00000
-0.03438
10
0.05306
0.00000
0.04588
11
-0.05957
0.00000
0.04615
12
0.06047
0.00000
-0.05981
13
-0.05956
0.00000
-0.04615
14
0.06047
0.00000
0.05981
15
-0.02803
0.00000
0.03623
16
0.04071
0.00000
-0.05015
17
-0.02802
0.00000
-0.03623
18
0.04071
0.00000
0.05015
19
-0.05720
0.00000
0.02221
20
-0.05720
0.00000
-0.02222
21
0.01305
0.00000
0.04923
22
0.01305
0.00000
-0.04923
23
-0.02860
0.00000
-0.00542
24
0.04096
0.00000
-0.02469
25
-0.02859
0.00000
0.00542
26
0.04095
0.00000
0.02469
27
-0.06035
0.00000
0.04585
28
0.06085
0.00000
-0.06028
29
-0.06035
0.00000
-0.04585
30
0.06086
0.00000
0.06028
31
0.04743
0.00000
-0.04391
32
0.04743
0.00000
0.04391
33
-0.03543
0.00000
0.03504
34
-0.03544
0.00000
-0.03505