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)
-0.61000
Diff mu Y
(Debye)
-0.19700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00062
0.00012
0.00000
2
0.00062
0.00012
0.00000
3
0.00015
0.00016
0.00000
4
-0.00017
0.00164
0.00000
5
-0.00017
0.00164
0.00000
6
0.00015
0.00016
0.00000
7
0.00053
-0.00190
0.00000
8
-0.04213
-0.00938
0.00000
9
-0.04213
-0.00938
0.00000
10
0.00053
-0.00190
0.00000
11
-0.00062
-0.00067
0.00000
12
-0.01656
-0.00290
0.00000
13
-0.01656
-0.00290
0.00000
14
-0.00062
-0.00067
0.00000
15
0.01463
-0.01667
0.00000
16
0.01463
-0.01667
0.00000
17
-0.00900
0.01067
0.00000
18
-0.00900
0.01067
0.00000
19
-0.00446
-0.01328
0.00000
20
-0.00446
-0.01328
0.00000
21
0.01745
0.00386
0.00000
22
0.01745
0.00386
0.00000
23
-0.17057
0.19490
0.00000
24
-0.17057
0.19491
0.00000
25
0.10813
-0.12256
0.00000
26
0.10813
-0.12257
0.00000
27
0.05311
0.16340
0.00000
28
0.05311
0.16340
0.00000
29
0.19800
0.03957
0.00000
30
0.19801
0.03957
0.00000
31
0.48728
0.10417
0.00000
32
0.48729
0.10417
0.00000
33
-0.20498
-0.04189
0.00000
34
-0.20498
-0.04189
0.00000