Charge: 2
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+2
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
0.06773
0.02869
0.00000
2
-0.06772
-0.02870
0.00000
3
-0.02471
-0.01494
0.00000
4
0.04043
0.04213
0.00000
5
-0.04045
-0.04214
0.00000
6
0.02470
0.01497
0.00000
7
0.00253
-0.04615
0.00000
8
-0.01415
-0.01754
0.00000
9
0.01416
0.01755
0.00000
10
-0.00253
0.04615
0.00000
11
0.00801
0.01568
0.00000
12
0.01265
0.04233
0.00000
13
-0.01264
-0.04232
0.00000
14
-0.00798
-0.01569
0.00000
15
0.02511
0.05045
0.00000
16
-0.02512
-0.05046
0.00000
17
0.01821
-0.02797
0.00000
18
-0.01822
0.02796
0.00000
19
-0.09134
0.02486
0.00000
20
0.09135
-0.02486
0.00000
21
0.03546
0.03527
0.00000
22
-0.03546
-0.03527
0.00000
23
-0.07284
-0.02878
0.00000
24
0.07285
0.02879
0.00000
25
0.09918
0.03378
0.00000
26
-0.09914
-0.03373
0.00000
27
0.28600
-0.09768
0.00000
28
-0.28602
0.09770
0.00000
29
-0.02396
-0.02316
0.00000
30
0.02397
0.02316
0.00000
31
0.01472
0.02727
0.00000
32
-0.01471
-0.02728
0.00000
33
0.07911
-0.13565
0.00000
34
-0.07911
0.13567
0.00000