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)
0.07500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03112
0.00000
0.03388
2
-0.03111
0.00000
-0.03389
3
0.02477
0.00000
-0.00886
4
0.01375
0.00000
-0.03666
5
0.02477
0.00000
0.00886
6
0.01375
0.00000
0.03666
7
-0.05980
0.00000
-0.05568
8
0.01258
0.00000
0.01556
9
-0.05980
0.00000
0.05568
10
0.01258
0.00000
-0.01556
11
-0.01170
0.00000
0.00845
12
0.00739
0.00000
-0.00754
13
-0.01170
0.00000
-0.00845
14
0.00739
0.00000
0.00754
15
0.02034
0.00000
-0.00514
16
0.02033
0.00000
0.00656
17
0.02034
0.00000
0.00514
18
0.02033
0.00000
-0.00656
19
-0.00325
0.00000
0.00228
20
-0.00325
0.00000
-0.00228
21
-0.01630
0.00000
-0.06721
22
-0.01630
0.00000
0.06721
23
0.01928
0.00000
0.18847
24
0.02935
0.00000
-0.26376
25
0.01928
0.00000
-0.18848
26
0.02935
0.00000
0.26376
27
0.17425
0.00000
0.10874
28
-0.05440
0.00000
-0.04519
29
0.17425
0.00000
-0.10874
30
-0.05440
0.00000
0.04519
31
-0.16109
0.00000
0.10909
32
-0.16109
0.00000
-0.10909
33
0.26642
0.00000
0.16188
34
0.26643
0.00000
-0.16189