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
0.09578
-0.06312
0.00000
2
-0.09578
0.06312
0.00000
3
-0.06535
0.04466
0.00000
4
0.06504
-0.04085
0.00000
5
-0.06504
0.04085
0.00000
6
0.06535
-0.04466
0.00000
7
0.05516
-0.04462
0.00000
8
-0.03489
0.05709
0.00000
9
0.03489
-0.05709
0.00000
10
-0.05516
0.04462
0.00000
11
0.04675
-0.01741
0.00000
12
-0.02208
0.01729
0.00000
13
0.02208
-0.01729
0.00000
14
-0.04675
0.01741
0.00000
15
-0.02627
-0.00594
0.00000
16
0.02626
0.00594
0.00000
17
-0.00536
0.00244
0.00000
18
0.00535
-0.00244
0.00000
19
-0.00480
-0.00147
0.00000
20
0.00480
0.00147
0.00000
21
-0.00750
0.01230
0.00000
22
0.00750
-0.01230
0.00000
23
0.01727
0.03443
0.00000
24
-0.01728
-0.03443
0.00000
25
0.02864
0.03291
0.00000
26
-0.02863
-0.03290
0.00000
27
-0.00182
-0.00313
0.00000
28
0.00181
0.00313
0.00000
29
0.01493
0.03043
0.00000
30
-0.01493
-0.03043
0.00000
31
-0.00373
0.14351
0.00000
32
0.00373
-0.14351
0.00000
33
0.01145
-0.07264
0.00000
34
-0.01145
0.07265
0.00000