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)
-0.44100
Eigenvectors
#
X
Y
Z
1
-0.06667
0.00000
-0.07830
2
0.06668
0.00000
-0.07830
3
0.00406
0.00000
0.06598
4
-0.00829
0.00000
0.03236
5
-0.00406
0.00000
0.06599
6
0.00829
0.00000
0.03236
7
0.04342
0.00000
-0.03164
8
-0.02951
0.00000
0.00575
9
-0.04342
0.00000
-0.03164
10
0.02951
0.00000
0.00575
11
-0.03999
0.00000
-0.03986
12
0.02486
0.00000
0.01006
13
0.04000
0.00000
-0.03987
14
-0.02486
0.00000
0.01007
15
-0.00709
0.00000
0.07565
16
0.01031
0.00000
-0.03781
17
0.00709
0.00000
0.07565
18
-0.01031
0.00000
-0.03781
19
0.00516
0.00000
0.00445
20
-0.00516
0.00000
0.00445
21
0.08542
0.00000
0.00483
22
-0.08542
0.00000
0.00483
23
-0.00669
0.00000
-0.04638
24
0.01071
0.00000
-0.03255
25
0.00669
0.00000
-0.04638
26
-0.01071
0.00000
-0.03255
27
-0.03619
0.00000
-0.03995
28
0.03916
0.00000
0.01695
29
0.03619
0.00000
-0.03995
30
-0.03916
0.00000
0.01695
31
0.12781
0.00000
-0.07948
32
-0.12781
0.00000
-0.07948
33
0.07554
0.00000
0.04467
34
-0.07554
0.00000
0.04467