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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05417
0.07825
0.00000
2
-0.05417
-0.07824
0.00000
3
-0.05038
-0.06498
0.00000
4
0.03315
0.05925
0.00000
5
-0.03315
-0.05925
0.00000
6
0.05038
0.06498
0.00000
7
0.02419
0.03152
0.00000
8
-0.00596
-0.03647
0.00000
9
0.00596
0.03647
0.00000
10
-0.02419
-0.03152
0.00000
11
0.04500
0.04371
0.00000
12
-0.01189
-0.06373
0.00000
13
0.01189
0.06373
0.00000
14
-0.04500
-0.04370
0.00000
15
-0.04421
-0.05670
0.00000
16
0.04421
0.05669
0.00000
17
-0.03454
-0.02556
0.00000
18
0.03454
0.02556
0.00000
19
0.02726
0.00296
0.00000
20
-0.02726
-0.00296
0.00000
21
-0.00927
-0.00785
0.00000
22
0.00927
0.00785
0.00000
23
0.08069
0.05067
0.00000
24
-0.08069
-0.05067
0.00000
25
0.04509
0.04538
0.00000
26
-0.04509
-0.04538
0.00000
27
-0.01630
0.01921
0.00000
28
0.01630
-0.01921
0.00000
29
0.04536
-0.08450
0.00000
30
-0.04536
0.08449
0.00000
31
0.02475
-0.05191
0.00000
32
-0.02475
0.05192
0.00000
33
-0.01537
0.01278
0.00000
34
0.01537
-0.01278
0.00000