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)
-0.04900
Diff mu Y
(Debye)
0.22600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05800
-0.06227
0.00000
2
-0.05800
-0.06227
0.00000
3
0.07657
0.06452
0.00000
4
0.06593
0.05955
0.00000
5
0.06593
0.05954
0.00000
6
0.07657
0.06452
0.00000
7
-0.06217
-0.02728
0.00000
8
-0.00457
-0.04886
0.00000
9
-0.00457
-0.04886
0.00000
10
-0.06216
-0.02728
0.00000
11
-0.02675
0.01513
0.00000
12
-0.01599
0.04194
0.00000
13
-0.01599
0.04194
0.00000
14
-0.02675
0.01513
0.00000
15
0.01590
-0.02752
0.00000
16
0.01590
-0.02752
0.00000
17
-0.02531
-0.03280
0.00000
18
-0.02530
-0.03280
0.00000
19
0.02930
0.00759
0.00000
20
0.02930
0.00759
0.00000
21
0.00251
0.01330
0.00000
22
0.00251
0.01330
0.00000
23
-0.02619
-0.06940
0.00000
24
-0.02619
-0.06940
0.00000
25
0.04670
0.03115
0.00000
26
0.04670
0.03115
0.00000
27
0.02404
0.01129
0.00000
28
0.02404
0.01129
0.00000
29
0.00783
-0.05018
0.00000
30
0.00783
-0.05017
0.00000
31
-0.00276
-0.07892
0.00000
32
-0.00276
-0.07891
0.00000
33
-0.01909
0.11688
0.00000
34
-0.01909
0.11688
0.00000