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)
-0.71700
Diff mu Y
(Debye)
1.41500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01554
0.00685
0.00000
2
0.01554
0.00685
0.00000
3
-0.04914
-0.02890
0.00000
4
-0.00516
0.05437
0.00000
5
-0.00516
0.05437
0.00000
6
-0.04914
-0.02890
0.00000
7
0.02744
0.06753
0.00000
8
0.00070
-0.07430
0.00000
9
0.00070
-0.07430
0.00000
10
0.02744
0.06753
0.00000
11
0.05600
0.02847
0.00000
12
0.00543
-0.02266
0.00000
13
0.00543
-0.02266
0.00000
14
0.05600
0.02847
0.00000
15
-0.01639
-0.00207
0.00000
16
-0.01639
-0.00207
0.00000
17
-0.07428
-0.03853
0.00000
18
-0.07428
-0.03853
0.00000
19
0.07015
0.00686
0.00000
20
0.07015
0.00686
0.00000
21
-0.02120
-0.03811
0.00000
22
-0.02120
-0.03811
0.00000
23
0.01165
0.02531
0.00000
24
0.01165
0.02531
0.00000
25
0.07334
0.09541
0.00000
26
0.07334
0.09541
0.00000
27
-0.09345
0.06510
0.00000
28
-0.09345
0.06510
0.00000
29
-0.00475
0.04256
0.00000
30
-0.00475
0.04256
0.00000
31
-0.04097
0.14577
0.00000
32
-0.04097
0.14577
0.00000
33
-0.05409
0.10798
0.00000
34
-0.05409
0.10798
0.00000