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)
0.14200
Diff mu Y
(Debye)
-0.43000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00721
0.00144
0.00000
2
-0.00721
0.00145
0.00000
3
0.04977
0.02219
0.00000
4
-0.00890
-0.07917
0.00000
5
-0.00890
-0.07916
0.00000
6
0.04977
0.02219
0.00000
7
-0.03549
-0.05034
0.00000
8
0.00712
0.07828
0.00000
9
0.00712
0.07827
0.00000
10
-0.03550
-0.05034
0.00000
11
-0.04819
-0.03385
0.00000
12
-0.00061
0.06050
0.00000
13
-0.00060
0.06050
0.00000
14
-0.04820
-0.03386
0.00000
15
0.00095
-0.02692
0.00000
16
0.00095
-0.02691
0.00000
17
0.06698
0.04696
0.00000
18
0.06699
0.04698
0.00000
19
-0.05634
-0.00262
0.00000
20
-0.05633
-0.00262
0.00000
21
0.02346
0.01526
0.00000
22
0.02346
0.01527
0.00000
23
0.01285
-0.02324
0.00000
24
0.01283
-0.02325
0.00000
25
-0.07775
-0.07977
0.00000
26
-0.07777
-0.07978
0.00000
27
0.04572
-0.03808
0.00000
28
0.04571
-0.03808
0.00000
29
0.03469
-0.09270
0.00000
30
0.03469
-0.09271
0.00000
31
0.05189
-0.12089
0.00000
32
0.05190
-0.12092
0.00000
33
0.03321
-0.02324
0.00000
34
0.03321
-0.02326
0.00000