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)
-0.16900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00119
0.00000
0.03213
2
-0.00119
0.00000
-0.03214
3
0.08247
0.00000
0.01425
4
-0.07494
0.00000
-0.00109
5
0.08247
0.00000
-0.01426
6
-0.07494
0.00000
0.00109
7
-0.01034
0.00000
-0.00545
8
0.03200
0.00000
0.04450
9
-0.01034
0.00000
0.00545
10
0.03199
0.00000
-0.04450
11
-0.05672
0.00000
0.04691
12
0.04560
0.00000
-0.05082
13
-0.05672
0.00000
-0.04690
14
0.04560
0.00000
0.05082
15
0.05790
0.00000
-0.02141
16
-0.07114
0.00000
0.00603
17
0.05790
0.00000
0.02141
18
-0.07114
0.00000
-0.00603
19
0.00664
0.00000
-0.03058
20
0.00664
0.00000
0.03058
21
-0.00629
0.00000
-0.01522
22
-0.00629
0.00000
0.01522
23
0.05793
0.00000
-0.10746
24
-0.07316
0.00000
0.08535
25
0.05793
0.00000
0.10746
26
-0.07316
0.00000
-0.08535
27
-0.12808
0.00000
0.00837
28
0.06702
0.00000
-0.03800
29
-0.12808
0.00000
-0.00836
30
0.06702
0.00000
0.03800
31
0.04274
0.00000
0.03716
32
0.04274
0.00000
-0.03716
33
-0.01384
0.00000
-0.04252
34
-0.01384
0.00000
0.04252