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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01140
0.01017
0.00000
2
0.01140
-0.01017
0.00000
3
0.05890
-0.01460
0.00000
4
0.06504
-0.03387
0.00000
5
-0.06504
0.03387
0.00000
6
-0.05890
0.01460
0.00000
7
0.01924
-0.01415
0.00000
8
-0.04276
-0.00178
0.00000
9
0.04276
0.00178
0.00000
10
-0.01924
0.01415
0.00000
11
0.00042
0.00351
0.00000
12
-0.04971
-0.01233
0.00000
13
0.04971
0.01233
0.00000
14
-0.00042
-0.00351
0.00000
15
-0.02230
-0.01781
0.00000
16
0.02230
0.01781
0.00000
17
-0.00493
-0.01290
0.00000
18
0.00493
0.01290
0.00000
19
0.01859
-0.00091
0.00000
20
-0.01859
0.00091
0.00000
21
-0.01633
0.01003
0.00000
22
0.01633
-0.01003
0.00000
23
-0.31168
-0.27307
0.00000
24
0.31167
0.27306
0.00000
25
-0.05641
-0.05918
0.00000
26
0.05641
0.05917
0.00000
27
0.14800
-0.04340
0.00000
28
-0.14799
0.04340
0.00000
29
0.01597
0.19108
0.00000
30
-0.01597
-0.19106
0.00000
31
0.08778
-0.20352
0.00000
32
-0.08778
0.20355
0.00000
33
-0.04024
0.12383
0.00000
34
0.04024
-0.12381
0.00000