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
0.00040
0.00009
0.00000
2
-0.00040
-0.00009
0.00000
3
-0.00041
0.00023
0.00000
4
-0.00072
0.00078
0.00000
5
0.00073
-0.00079
0.00000
6
0.00041
-0.00023
0.00000
7
-0.00024
-0.00017
0.00000
8
0.00414
0.00072
0.00000
9
-0.00415
-0.00072
0.00000
10
0.00024
0.00017
0.00000
11
-0.00060
0.00041
0.00000
12
0.04003
0.00710
0.00000
13
-0.04015
-0.00712
0.00000
14
0.00060
-0.00041
0.00000
15
0.02395
-0.02523
0.00000
16
-0.02388
0.02515
0.00000
17
0.01451
-0.01607
0.00000
18
-0.01447
0.01602
0.00000
19
-0.00041
0.00299
0.00000
20
0.00041
-0.00298
0.00000
21
0.00933
0.00176
0.00000
22
-0.00931
-0.00176
0.00000
23
-0.26832
0.29939
0.00000
24
0.26751
-0.29849
0.00000
25
-0.16239
0.18469
0.00000
26
0.16193
-0.18417
0.00000
27
-0.00899
-0.03134
0.00000
28
0.00895
0.03123
0.00000
29
0.45923
0.09164
0.00000
30
-0.45785
-0.09136
0.00000
31
0.04639
0.01058
0.00000
32
-0.04630
-0.01056
0.00000
33
-0.10557
-0.02240
0.00000
34
0.10540
0.02236
0.00000