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
0.00504
0.00753
0.00000
2
-0.00504
-0.00754
0.00000
3
0.04786
-0.00735
0.00000
4
0.02535
-0.02210
0.00000
5
-0.02535
0.02211
0.00000
6
-0.04785
0.00735
0.00000
7
-0.01022
-0.04295
0.00000
8
-0.00626
0.00258
0.00000
9
0.00625
-0.00258
0.00000
10
0.01022
0.04295
0.00000
11
0.03844
0.02509
0.00000
12
-0.00847
0.01626
0.00000
13
0.00847
-0.01626
0.00000
14
-0.03844
-0.02509
0.00000
15
-0.01543
0.01432
0.00000
16
0.01542
-0.01432
0.00000
17
0.01654
0.00761
0.00000
18
-0.01654
-0.00761
0.00000
19
-0.03757
0.00920
0.00000
20
0.03757
-0.00919
0.00000
21
0.02322
-0.00834
0.00000
22
-0.02322
0.00834
0.00000
23
-0.05351
-0.01654
0.00000
24
0.05350
0.01653
0.00000
25
0.12229
0.09805
0.00000
26
-0.12227
-0.09804
0.00000
27
-0.42283
0.13497
0.00000
28
0.42278
-0.13495
0.00000
29
0.04462
-0.18689
0.00000
30
-0.04462
0.18690
0.00000
31
0.06058
-0.26030
0.00000
32
-0.06058
0.26028
0.00000
33
0.06044
-0.17310
0.00000
34
-0.06043
0.17305
0.00000