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
-0.00015
0.00002
0.00000
2
0.00015
-0.00002
0.00000
3
0.00024
0.00027
0.00000
4
-0.00009
0.00079
0.00000
5
0.00009
-0.00079
0.00000
6
-0.00024
-0.00027
0.00000
7
-0.00005
0.00005
0.00000
8
-0.01843
-0.00392
0.00000
9
0.01844
0.00392
0.00000
10
0.00005
-0.00005
0.00000
11
0.00079
0.00056
0.00000
12
0.00524
0.00147
0.00000
13
-0.00524
-0.00147
0.00000
14
-0.00079
-0.00056
0.00000
15
-0.00071
0.00149
0.00000
16
0.00071
-0.00149
0.00000
17
0.02034
-0.02421
0.00000
18
-0.02034
0.02421
0.00000
19
0.01001
0.03135
0.00000
20
-0.01001
-0.03136
0.00000
21
-0.02769
-0.00639
0.00000
22
0.02769
0.00639
0.00000
23
0.00837
-0.01173
0.00000
24
-0.00836
0.01172
0.00000
25
-0.24387
0.27992
0.00000
26
0.24388
-0.27994
0.00000
27
-0.12168
-0.37451
0.00000
28
0.12169
0.37454
0.00000
29
0.05898
0.01321
0.00000
30
-0.05900
-0.01321
0.00000
31
-0.21381
-0.04377
0.00000
32
0.21378
0.04377
0.00000
33
0.32812
0.07067
0.00000
34
-0.32815
-0.07068
0.00000