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
0.00065
-0.00614
0.00000
2
-0.00065
0.00615
0.00000
3
-0.01693
-0.02417
0.00000
4
-0.00550
-0.01906
0.00000
5
0.00550
0.01906
0.00000
6
0.01693
0.02417
0.00000
7
-0.05293
0.04602
0.00000
8
-0.09095
0.01717
0.00000
9
0.09095
-0.01718
0.00000
10
0.05293
-0.04602
0.00000
11
0.01130
-0.06038
0.00000
12
0.01821
-0.04920
0.00000
13
-0.01821
0.04920
0.00000
14
-0.01130
0.06038
0.00000
15
0.00086
0.04431
0.00000
16
-0.00086
-0.04431
0.00000
17
0.04070
-0.09265
0.00000
18
-0.04070
0.09265
0.00000
19
0.01176
0.03030
0.00000
20
-0.01177
-0.03030
0.00000
21
0.01800
0.04666
0.00000
22
-0.01800
-0.04666
0.00000
23
0.05694
0.09263
0.00000
24
-0.05694
-0.09263
0.00000
25
0.00028
-0.12904
0.00000
26
-0.00028
0.12904
0.00000
27
-0.07900
0.05900
0.00000
28
0.07900
-0.05900
0.00000
29
-0.02003
0.05707
0.00000
30
0.02003
-0.05707
0.00000
31
0.09772
-0.04993
0.00000
32
-0.09772
0.04993
0.00000
33
0.02740
-0.00062
0.00000
34
-0.02740
0.00062
0.00000