Charge: 2
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+2
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)
2.41600
Diff mu Y
(Debye)
0.47600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00861
-0.00045
0.00000
2
0.00861
-0.00045
0.00000
3
-0.06121
0.00222
0.00000
4
-0.00637
0.04092
0.00000
5
-0.00637
0.04092
0.00000
6
-0.06121
0.00222
0.00000
7
0.00535
0.05427
0.00000
8
0.01421
-0.01244
0.00000
9
0.01421
-0.01244
0.00000
10
0.00535
0.05427
0.00000
11
-0.06387
-0.04961
0.00000
12
0.01966
-0.01655
0.00000
13
0.01966
-0.01655
0.00000
14
-0.06387
-0.04961
0.00000
15
0.04009
0.00018
0.00000
16
0.04009
0.00018
0.00000
17
-0.00698
0.01055
0.00000
18
-0.00698
0.01055
0.00000
19
0.01398
0.00672
0.00000
20
0.01398
0.00672
0.00000
21
-0.01036
-0.00431
0.00000
22
-0.01036
-0.00431
0.00000
23
0.21448
0.14982
0.00000
24
0.21448
0.14982
0.00000
25
-0.01123
0.01242
0.00000
26
-0.01123
0.01242
0.00000
27
0.24539
-0.06904
0.00000
28
0.24539
-0.06904
0.00000
29
0.04849
-0.15178
0.00000
30
0.04849
-0.15178
0.00000
31
0.07904
-0.33656
0.00000
32
0.07904
-0.33656
0.00000
33
-0.01782
0.01998
0.00000
34
-0.01782
0.01998
0.00000