Charge: 1
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+1
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)
-0.22500
Diff mu Y
(Debye)
-0.47800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02860
0.05986
0.00000
2
-0.02860
0.05986
0.00000
3
0.02985
0.02736
0.00000
4
-0.02093
0.01340
0.00000
5
-0.02093
0.01340
0.00000
6
0.02985
0.02736
0.00000
7
0.05195
-0.05585
0.00000
8
0.07093
-0.04350
0.00000
9
0.07093
-0.04351
0.00000
10
0.05195
-0.05585
0.00000
11
0.01696
0.02978
0.00000
12
-0.01425
0.02949
0.00000
13
-0.01425
0.02949
0.00000
14
0.01695
0.02978
0.00000
15
0.03203
0.02476
0.00000
16
0.03203
0.02476
0.00000
17
-0.05596
0.03493
0.00000
18
-0.05596
0.03493
0.00000
19
-0.05058
-0.06225
0.00000
20
-0.05058
-0.06225
0.00000
21
-0.03307
-0.05855
0.00000
22
-0.03307
-0.05854
0.00000
23
0.05055
0.04166
0.00000
24
0.05055
0.04166
0.00000
25
-0.04417
0.04501
0.00000
26
-0.04417
0.04501
0.00000
27
0.00654
-0.08224
0.00000
28
0.00653
-0.08224
0.00000
29
-0.02388
0.07580
0.00000
30
-0.02389
0.07580
0.00000
31
0.07886
-0.08138
0.00000
32
0.07886
-0.08137
0.00000
33
-0.04804
0.00812
0.00000
34
-0.04804
0.00813
0.00000