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)
-0.49300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07321
0.00000
-0.01569
2
0.07321
0.00000
0.01569
3
-0.02015
0.00000
0.06804
4
-0.01806
0.00000
0.03012
5
-0.02015
0.00000
-0.06804
6
-0.01806
0.00000
-0.03012
7
-0.00587
0.00000
-0.06240
8
-0.02007
0.00000
-0.02136
9
-0.00587
0.00000
0.06240
10
-0.02007
0.00000
0.02136
11
0.01229
0.00000
0.00633
12
0.05461
0.00000
0.01813
13
0.01229
0.00000
-0.00633
14
0.05461
0.00000
-0.01813
15
0.01845
0.00000
0.01908
16
0.00384
0.00000
0.01492
17
0.01845
0.00000
-0.01909
18
0.00384
0.00000
-0.01492
19
0.01700
0.00000
0.03533
20
0.01700
0.00000
-0.03533
21
-0.08916
0.00000
0.00433
22
-0.08916
0.00000
-0.00433
23
0.01731
0.00000
-0.17732
24
0.00565
0.00000
-0.22816
25
0.01731
0.00000
0.17732
26
0.00565
0.00000
0.22816
27
-0.08986
0.00000
-0.05643
28
-0.13632
0.00000
-0.10140
29
-0.08986
0.00000
0.05643
30
-0.13632
0.00000
0.10140
31
-0.03061
0.00000
-0.02235
32
-0.03061
0.00000
0.02235
33
-0.07683
0.00000
-0.01821
34
-0.07683
0.00000
0.01821