Charge: -1
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-1
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
-0.00040
-0.00006
0.00000
2
0.00040
0.00006
0.00000
3
-0.00025
0.00018
0.00000
4
0.00050
-0.00139
0.00000
5
-0.00050
0.00138
0.00000
6
0.00025
-0.00019
0.00000
7
0.00010
-0.00030
0.00000
8
-0.00418
-0.00073
0.00000
9
0.00417
0.00073
0.00000
10
-0.00010
0.00030
0.00000
11
-0.00131
-0.00089
0.00000
12
-0.04101
-0.01150
0.00000
13
0.04098
0.01149
0.00000
14
0.00132
0.00089
0.00000
15
0.02560
-0.03351
0.00000
16
-0.02562
0.03353
0.00000
17
0.00132
-0.00163
0.00000
18
-0.00132
0.00164
0.00000
19
0.00195
0.00684
0.00000
20
-0.00195
-0.00684
0.00000
21
0.00420
0.00066
0.00000
22
-0.00420
-0.00066
0.00000
23
-0.30596
0.35277
0.00000
24
0.30616
-0.35300
0.00000
25
-0.01590
0.02092
0.00000
26
0.01592
-0.02095
0.00000
27
-0.02391
-0.07505
0.00000
28
0.02392
0.07508
0.00000
29
-0.46097
-0.09909
0.00000
30
0.46126
0.09915
0.00000
31
-0.04793
-0.01171
0.00000
32
0.04796
0.01172
0.00000
33
-0.04618
-0.00926
0.00000
34
0.04623
0.00927
0.00000