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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
0.17500
Diff mu Y
(Debye)
1.46500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00019
-0.00010
0.00000
2
-0.00019
-0.00010
0.00000
3
0.00015
-0.00025
0.00000
4
-0.00008
-0.00277
0.00000
5
-0.00008
-0.00277
0.00000
6
0.00015
-0.00025
0.00000
7
-0.00053
0.00193
0.00000
8
0.02732
0.00562
0.00000
9
0.02732
0.00562
0.00000
10
-0.00053
0.00193
0.00000
11
-0.00072
-0.00115
0.00000
12
-0.03346
-0.00703
0.00000
13
-0.03346
-0.00703
0.00000
14
-0.00072
-0.00115
0.00000
15
0.01912
-0.02028
0.00000
16
0.01912
-0.02028
0.00000
17
-0.00480
0.00525
0.00000
18
-0.00480
0.00525
0.00000
19
0.00650
0.01625
0.00000
20
0.00650
0.01625
0.00000
21
-0.01300
-0.00307
0.00000
22
-0.01300
-0.00307
0.00000
23
-0.22899
0.25623
0.00000
24
-0.22899
0.25623
0.00000
25
0.04667
-0.04981
0.00000
26
0.04667
-0.04981
0.00000
27
-0.06445
-0.19189
0.00000
28
-0.06445
-0.19189
0.00000
29
0.39837
0.08108
0.00000
30
0.39837
0.08108
0.00000
31
-0.31293
-0.06438
0.00000
32
-0.31293
-0.06438
0.00000
33
0.15760
0.03534
0.00000
34
0.15760
0.03534
0.00000