Charge: -1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q-1
Electronic States
Energy
(eV)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.04000
Diff mu Y
(Debye)
-0.41100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02250
0.05087
0.00000
2
-0.02250
0.05087
0.00000
3
0.02701
0.02214
0.00000
4
-0.01555
0.01347
0.00000
5
-0.01555
0.01347
0.00000
6
0.02701
0.02214
0.00000
7
0.04879
-0.06123
0.00000
8
0.07360
-0.04305
0.00000
9
0.07360
-0.04305
0.00000
10
0.04879
-0.06123
0.00000
11
0.01437
0.02821
0.00000
12
-0.00744
0.03898
0.00000
13
-0.00744
0.03898
0.00000
14
0.01437
0.02821
0.00000
15
0.02615
0.03395
0.00000
16
0.02615
0.03395
0.00000
17
-0.05428
0.03673
0.00000
18
-0.05428
0.03673
0.00000
19
-0.05296
-0.05983
0.00000
20
-0.05296
-0.05983
0.00000
21
-0.03923
-0.06034
0.00000
22
-0.03923
-0.06034
0.00000
23
0.04536
0.05170
0.00000
24
0.04536
0.05170
0.00000
25
-0.04414
0.04465
0.00000
26
-0.04414
0.04465
0.00000
27
0.00550
-0.08090
0.00000
28
0.00550
-0.08090
0.00000
29
-0.01381
0.07387
0.00000
30
-0.01381
0.07387
0.00000
31
0.08219
-0.09228
0.00000
32
0.08219
-0.09228
0.00000
33
-0.05099
0.00394
0.00000
34
-0.05099
0.00394
0.00000