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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 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
0.04209
-0.10695
0.00000
2
-0.04206
0.10695
0.00000
3
0.00864
-0.01189
0.00000
4
0.00064
0.00507
0.00000
5
-0.00067
-0.00507
0.00000
6
-0.00866
0.01190
0.00000
7
0.05754
0.04299
0.00000
8
-0.01552
-0.04238
0.00000
9
0.01554
0.04234
0.00000
10
-0.05755
-0.04298
0.00000
11
-0.06794
0.06528
0.00000
12
0.01877
-0.00368
0.00000
13
-0.01880
0.00372
0.00000
14
0.06794
-0.06531
0.00000
15
0.03732
-0.00436
0.00000
16
-0.03727
0.00439
0.00000
17
0.03485
-0.00823
0.00000
18
-0.03486
0.00822
0.00000
19
-0.00921
-0.00723
0.00000
20
0.00918
0.00724
0.00000
21
-0.02141
-0.00917
0.00000
22
0.02142
0.00919
0.00000
23
0.05229
0.00959
0.00000
24
-0.05249
-0.00979
0.00000
25
-0.13266
-0.15688
0.00000
26
0.13277
0.15696
0.00000
27
-0.00434
-0.01332
0.00000
28
0.00452
0.01326
0.00000
29
-0.00325
-0.06618
0.00000
30
0.00329
0.06589
0.00000
31
0.06283
-0.18385
0.00000
32
-0.06286
0.18405
0.00000
33
-0.00149
-0.11237
0.00000
34
0.00152
0.11228
0.00000