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
0.01785
0.01457
0.00000
2
-0.01785
-0.01457
0.00000
3
0.02615
0.03955
0.00000
4
-0.02669
0.01741
0.00000
5
0.02669
-0.01741
0.00000
6
-0.02615
-0.03955
0.00000
7
0.02214
0.06863
0.00000
8
-0.00856
0.02926
0.00000
9
0.00856
-0.02926
0.00000
10
-0.02214
-0.06863
0.00000
11
0.03082
0.04685
0.00000
12
-0.04778
-0.00198
0.00000
13
0.04778
0.00198
0.00000
14
-0.03082
-0.04685
0.00000
15
0.04204
0.00862
0.00000
16
-0.04204
-0.00862
0.00000
17
-0.00005
0.06637
0.00000
18
0.00006
-0.06636
0.00000
19
-0.00458
0.09484
0.00000
20
0.00459
-0.09484
0.00000
21
0.00421
0.09348
0.00000
22
-0.00421
-0.09348
0.00000
23
0.02210
-0.00831
0.00000
24
-0.02210
0.00831
0.00000
25
-0.02340
0.04622
0.00000
26
0.02340
-0.04622
0.00000
27
-0.01532
0.09882
0.00000
28
0.01533
-0.09882
0.00000
29
0.04379
0.01929
0.00000
30
-0.04380
-0.01929
0.00000
31
0.00024
0.00652
0.00000
32
-0.00024
-0.00652
0.00000
33
0.00171
0.10827
0.00000
34
-0.00170
-0.10827
0.00000