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)
0.65600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02532
0.00000
-0.02540
2
-0.02532
0.00000
0.02540
3
0.04723
0.00000
0.03441
4
0.01421
0.00000
0.05440
5
0.04723
0.00000
-0.03441
6
0.01421
0.00000
-0.05439
7
-0.07403
0.00000
0.05460
8
-0.01660
0.00000
-0.02206
9
-0.07403
0.00000
-0.05460
10
-0.01660
0.00000
0.02206
11
0.01607
0.00000
-0.02299
12
0.00143
0.00000
0.01543
13
0.01606
0.00000
0.02299
14
0.00143
0.00000
-0.01544
15
0.03088
0.00000
-0.02138
16
0.02320
0.00000
-0.03133
17
0.03088
0.00000
0.02138
18
0.02320
0.00000
0.03133
19
-0.00603
0.00000
-0.05952
20
-0.00603
0.00000
0.05952
21
-0.06297
0.00000
0.01129
22
-0.06297
0.00000
-0.01128
23
0.03464
0.00000
-0.10956
24
0.02428
0.00000
-0.00253
25
0.03464
0.00000
0.10955
26
0.02428
0.00000
0.00253
27
0.28939
0.00000
0.13123
28
0.03315
0.00000
0.03477
29
0.28938
0.00000
-0.13123
30
0.03315
0.00000
-0.03477
31
0.09146
0.00000
-0.08302
32
0.09145
0.00000
0.08301
33
0.14539
0.00000
0.02743
34
0.14540
0.00000
-0.02743