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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00003
-0.00004
0.00000
2
-0.00003
0.00004
0.00000
3
0.00022
-0.00009
0.00000
4
-0.00025
0.00022
0.00000
5
0.00025
-0.00022
0.00000
6
-0.00022
0.00009
0.00000
7
0.00033
0.00082
0.00000
8
-0.00148
-0.00018
0.00000
9
0.00148
0.00018
0.00000
10
-0.00033
-0.00083
0.00000
11
-0.00091
-0.00123
0.00000
12
0.01540
0.00263
0.00000
13
-0.01538
-0.00263
0.00000
14
0.00092
0.00123
0.00000
15
0.01157
-0.01229
0.00000
16
-0.01159
0.01231
0.00000
17
-0.02878
0.03187
0.00000
18
0.02882
-0.03191
0.00000
19
0.00231
-0.00287
0.00000
20
-0.00231
0.00287
0.00000
21
-0.03267
-0.00658
0.00000
22
0.03272
0.00659
0.00000
23
-0.12847
0.14583
0.00000
24
0.12865
-0.14603
0.00000
25
0.32429
-0.36485
0.00000
26
-0.32471
0.36532
0.00000
27
0.00532
0.02479
0.00000
28
-0.00532
-0.02482
0.00000
29
0.17791
0.03563
0.00000
30
-0.17814
-0.03568
0.00000
31
-0.01686
-0.00195
0.00000
32
0.01679
0.00194
0.00000
33
0.37105
0.07859
0.00000
34
-0.37156
-0.07869
0.00000