Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+1
Electronic States
Energy
(eV)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
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)
0.86600
Eigenvectors
#
X
Y
Z
1
-0.02030
0.00000
-0.03216
2
0.02030
0.00000
-0.03216
3
0.00141
0.00000
-0.01113
4
0.01239
0.00000
0.00406
5
-0.00141
0.00000
-0.01113
6
-0.01239
0.00000
0.00406
7
0.02998
0.00000
0.06628
8
-0.03554
0.00000
-0.00165
9
-0.02998
0.00000
0.06628
10
0.03554
0.00000
-0.00165
11
0.03076
0.00000
0.02774
12
0.01501
0.00000
-0.01110
13
-0.03076
0.00000
0.02774
14
-0.01501
0.00000
-0.01110
15
-0.04809
0.00000
-0.03830
16
0.00292
0.00000
0.02084
17
0.04809
0.00000
-0.03830
18
-0.00292
0.00000
0.02084
19
0.05193
0.00000
-0.03399
20
-0.05193
0.00000
-0.03399
21
0.00884
0.00000
-0.01545
22
-0.00884
0.00000
-0.01545
23
-0.05495
0.00000
-0.17039
24
0.00041
0.00000
0.18870
25
0.05494
0.00000
-0.17039
26
-0.00041
0.00000
0.18870
27
0.11944
0.00000
0.08322
28
0.04317
0.00000
0.00321
29
-0.11943
0.00000
0.08322
30
-0.04316
0.00000
0.00320
31
-0.11390
0.00000
0.03967
32
0.11390
0.00000
0.03967
33
0.38016
0.00000
0.15164
34
-0.38017
0.00000
0.15164