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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.29200
Diff mu Y
(Debye)
0.80800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04188
0.01402
0.00000
2
-0.04188
0.01402
0.00000
3
-0.00643
-0.01984
0.00000
4
0.02931
-0.00563
0.00000
5
0.02931
-0.00563
0.00000
6
-0.00643
-0.01984
0.00000
7
-0.01974
-0.01266
0.00000
8
-0.00477
-0.00610
0.00000
9
-0.00477
-0.00610
0.00000
10
-0.01973
-0.01266
0.00000
11
0.04291
0.00047
0.00000
12
-0.02521
-0.05679
0.00000
13
-0.02521
-0.05679
0.00000
14
0.04291
0.00047
0.00000
15
0.00090
0.06224
0.00000
16
0.00090
0.06224
0.00000
17
0.01459
0.01824
0.00000
18
0.01459
0.01824
0.00000
19
-0.02746
-0.01758
0.00000
20
-0.02746
-0.01758
0.00000
21
0.02357
0.01461
0.00000
22
0.02357
0.01461
0.00000
23
0.20453
0.25051
0.00000
24
0.20453
0.25050
0.00000
25
0.06509
0.06210
0.00000
26
0.06509
0.06211
0.00000
27
-0.12349
0.01198
0.00000
28
-0.12348
0.01197
0.00000
29
0.03938
-0.40017
0.00000
30
0.03938
-0.40015
0.00000
31
-0.02757
0.09908
0.00000
32
-0.02757
0.09910
0.00000
33
0.01130
0.08393
0.00000
34
0.01130
0.08393
0.00000