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)
0.27300
Diff mu Y
(Debye)
-0.27000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00109
-0.02001
0.00000
2
0.00109
-0.02001
0.00000
3
0.04538
0.00471
0.00000
4
-0.04529
-0.05338
0.00000
5
-0.04529
-0.05338
0.00000
6
0.04538
0.00471
0.00000
7
-0.01047
0.01117
0.00000
8
0.02771
0.03072
0.00000
9
0.02771
0.03072
0.00000
10
-0.01047
0.01117
0.00000
11
-0.02133
0.09618
0.00000
12
-0.00180
-0.01920
0.00000
13
-0.00180
-0.01920
0.00000
14
-0.02133
0.09618
0.00000
15
0.01727
0.01349
0.00000
16
0.01727
0.01349
0.00000
17
-0.03262
-0.05935
0.00000
18
-0.03262
-0.05935
0.00000
19
0.04690
-0.03345
0.00000
20
0.04690
-0.03345
0.00000
21
-0.04085
0.05545
0.00000
22
-0.04085
0.05545
0.00000
23
0.12246
0.10958
0.00000
24
0.12246
0.10958
0.00000
25
-0.02722
-0.05804
0.00000
26
-0.02722
-0.05804
0.00000
27
0.00301
-0.02389
0.00000
28
0.00301
-0.02389
0.00000
29
0.01907
-0.13106
0.00000
30
0.01907
-0.13106
0.00000
31
0.03258
0.02926
0.00000
32
0.03258
0.02926
0.00000
33
0.01686
-0.23934
0.00000
34
0.01686
-0.23934
0.00000