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)
0.08100
Diff mu Y
(Debye)
0.39900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02108
-0.00583
0.00000
2
0.02108
-0.00583
0.00000
3
-0.02256
0.03059
0.00000
4
-0.02745
-0.00979
0.00000
5
-0.02745
-0.00979
0.00000
6
-0.02256
0.03059
0.00000
7
0.00172
0.00226
0.00000
8
0.01833
-0.03928
0.00000
9
0.01833
-0.03928
0.00000
10
0.00172
0.00226
0.00000
11
-0.00010
-0.04125
0.00000
12
-0.02610
0.06973
0.00000
13
-0.02610
0.06973
0.00000
14
-0.00010
-0.04125
0.00000
15
0.05687
0.01134
0.00000
16
0.05687
0.01134
0.00000
17
-0.02349
-0.02148
0.00000
18
-0.02349
-0.02148
0.00000
19
-0.01739
0.01973
0.00000
20
-0.01739
0.01973
0.00000
21
0.00690
0.01411
0.00000
22
0.00690
0.01411
0.00000
23
-0.21493
-0.23651
0.00000
24
-0.21493
-0.23651
0.00000
25
0.13899
0.12507
0.00000
26
0.13899
0.12507
0.00000
27
0.16457
-0.03963
0.00000
28
0.16457
-0.03963
0.00000
29
0.04872
-0.28679
0.00000
30
0.04872
-0.28679
0.00000
31
-0.02447
0.17367
0.00000
32
-0.02447
0.17367
0.00000
33
0.03216
-0.09452
0.00000
34
0.03216
-0.09452
0.00000