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)
0.38600
Diff mu Y
(Debye)
0.22800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05579
-0.02377
0.00000
2
0.05585
-0.02370
0.00000
3
-0.08231
0.02414
0.00000
4
0.01731
-0.02899
0.00000
5
0.01730
-0.02900
0.00000
6
-0.08229
0.02423
0.00000
7
-0.03453
-0.01662
0.00000
8
0.04871
-0.01878
0.00000
9
0.04877
-0.01875
0.00000
10
-0.03456
-0.01663
0.00000
11
-0.02381
0.04806
0.00000
12
-0.06050
0.00771
0.00000
13
-0.06051
0.00769
0.00000
14
-0.02384
0.04803
0.00000
15
0.05653
-0.01425
0.00000
16
0.05653
-0.01426
0.00000
17
0.03877
-0.02738
0.00000
18
0.03867
-0.02740
0.00000
19
-0.02457
-0.01137
0.00000
20
-0.02453
-0.01126
0.00000
21
0.00886
0.02786
0.00000
22
0.00893
0.02777
0.00000
23
0.12239
0.04107
0.00000
24
0.12241
0.04107
0.00000
25
0.13727
0.05435
0.00000
26
0.13686
0.05406
0.00000
27
-0.21224
0.04777
0.00000
28
-0.21224
0.04791
0.00000
29
-0.09930
0.17734
0.00000
30
-0.09930
0.17743
0.00000
31
0.05035
-0.00638
0.00000
32
0.05032
-0.00656
0.00000
33
-0.00159
0.08304
0.00000
34
-0.00140
0.08246
0.00000