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)
-1.81200
Diff mu Y
(Debye)
-0.88900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02433
0.00193
0.00000
2
-0.02458
0.00223
0.00000
3
0.06617
-0.02563
0.00000
4
0.02648
0.02278
0.00000
5
0.02631
0.02263
0.00000
6
0.06603
-0.02591
0.00000
7
-0.07706
-0.01554
0.00000
8
0.02220
-0.04616
0.00000
9
0.02204
-0.04581
0.00000
10
-0.07664
-0.01566
0.00000
11
-0.01721
0.04573
0.00000
12
-0.01093
-0.00902
0.00000
13
-0.01088
-0.00891
0.00000
14
-0.01731
0.04585
0.00000
15
0.01658
0.00939
0.00000
16
0.01668
0.00945
0.00000
17
-0.06165
-0.05077
0.00000
18
-0.06168
-0.05080
0.00000
19
0.04504
-0.01857
0.00000
20
0.04508
-0.01852
0.00000
21
-0.00993
0.09036
0.00000
22
-0.00999
0.09029
0.00000
23
-0.00785
-0.01144
0.00000
24
-0.00788
-0.01148
0.00000
25
0.11402
0.10676
0.00000
26
0.11399
0.10673
0.00000
27
0.16079
-0.05671
0.00000
28
0.16047
-0.05654
0.00000
29
-0.01895
0.02582
0.00000
30
-0.01911
0.02622
0.00000
31
0.01219
0.00788
0.00000
32
0.01223
0.00817
0.00000
33
0.03530
-0.12816
0.00000
34
0.03528
-0.12846
0.00000