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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
0.64000
Diff mu Y
(Debye)
0.73500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03671
0.01800
0.00000
2
-0.03671
0.01800
0.00000
3
0.04212
-0.01555
0.00000
4
-0.00210
0.02407
0.00000
5
-0.00210
0.02407
0.00000
6
0.04212
-0.01555
0.00000
7
0.01051
-0.00474
0.00000
8
-0.02268
0.01301
0.00000
9
-0.02268
0.01301
0.00000
10
0.01051
-0.00474
0.00000
11
0.01532
-0.03466
0.00000
12
0.04127
0.00258
0.00000
13
0.04127
0.00258
0.00000
14
0.01532
-0.03466
0.00000
15
-0.03802
0.00364
0.00000
16
-0.03802
0.00364
0.00000
17
-0.07902
0.02427
0.00000
18
-0.07902
0.02427
0.00000
19
0.03501
0.04343
0.00000
20
0.03501
0.04343
0.00000
21
0.04373
-0.03535
0.00000
22
0.04373
-0.03535
0.00000
23
-0.09678
-0.05201
0.00000
24
-0.09678
-0.05201
0.00000
25
-0.30890
-0.17815
0.00000
26
-0.30890
-0.17815
0.00000
27
0.18796
-0.00280
0.00000
28
0.18796
-0.00280
0.00000
29
0.05369
-0.05768
0.00000
30
0.05369
-0.05768
0.00000
31
-0.02751
0.02056
0.00000
32
-0.02751
0.02056
0.00000
33
0.07930
-0.19084
0.00000
34
0.07930
-0.19084
0.00000