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
-0.01880
-0.01484
0.00000
2
0.01880
0.01484
0.00000
3
-0.02786
-0.03838
0.00000
4
0.02635
-0.01443
0.00000
5
-0.02635
0.01443
0.00000
6
0.02786
0.03838
0.00000
7
-0.02435
-0.06833
0.00000
8
0.00637
-0.03076
0.00000
9
-0.00637
0.03076
0.00000
10
0.02435
0.06833
0.00000
11
-0.03179
-0.04430
0.00000
12
0.04474
0.00377
0.00000
13
-0.04474
-0.00377
0.00000
14
0.03179
0.04429
0.00000
15
-0.03984
-0.00949
0.00000
16
0.03984
0.00949
0.00000
17
0.00057
-0.06389
0.00000
18
-0.00057
0.06388
0.00000
19
0.00444
-0.09589
0.00000
20
-0.00444
0.09589
0.00000
21
-0.00478
-0.09669
0.00000
22
0.00478
0.09669
0.00000
23
-0.02253
0.00567
0.00000
24
0.02253
-0.00567
0.00000
25
0.02490
-0.04307
0.00000
26
-0.02490
0.04307
0.00000
27
0.01778
-0.10104
0.00000
28
-0.01778
0.10104
0.00000
29
-0.04152
-0.01975
0.00000
30
0.04152
0.01976
0.00000
31
0.00184
-0.00567
0.00000
32
-0.00184
0.00567
0.00000
33
-0.00237
-0.11142
0.00000
34
0.00237
0.11142
0.00000