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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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)
-0.25300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07631
2
0.00000
0.00000
0.07631
3
0.00000
0.00000
0.02172
4
0.00000
0.00000
0.02168
5
0.00000
0.00000
0.02168
6
0.00000
0.00000
0.02172
7
0.00000
0.00000
-0.04709
8
0.00000
0.00000
-0.10330
9
0.00000
0.00000
-0.10330
10
0.00000
0.00000
-0.04709
11
0.00000
0.00000
-0.03573
12
0.00000
0.00000
0.04573
13
0.00000
0.00000
0.04573
14
0.00000
0.00000
-0.03573
15
0.00000
0.00000
0.00795
16
0.00000
0.00000
0.00795
17
0.00000
0.00000
-0.07134
18
0.00000
0.00000
-0.07134
19
0.00000
0.00000
0.06618
20
0.00000
0.00000
0.06618
21
0.00000
0.00000
0.02860
22
0.00000
0.00000
0.02860
23
0.00000
0.00000
0.00001
24
0.00000
0.00000
0.00001
25
0.00000
0.00000
-0.16374
26
0.00000
0.00000
-0.16374
27
0.00000
0.00000
0.13805
28
0.00000
0.00000
0.13805
29
0.00000
0.00000
0.06062
30
0.00000
0.00000
0.06062
31
0.00000
0.00000
-0.21548
32
0.00000
0.00000
-0.21548
33
0.00000
0.00000
0.05294
34
0.00000
0.00000
0.05294