Charge: 0
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
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)
1.38500
Eigenvectors
#
X
Y
Z
1
-0.03401
0.00000
-0.02606
2
0.03401
0.00000
-0.02606
3
-0.03061
0.00000
0.04537
4
-0.01039
0.00000
-0.00725
5
0.03061
0.00000
0.04537
6
0.01039
0.00000
-0.00725
7
0.00446
0.00000
0.01687
8
-0.01084
0.00000
0.00816
9
-0.00446
0.00000
0.01687
10
0.01084
0.00000
0.00816
11
0.00647
0.00000
0.02181
12
-0.00250
0.00000
0.01228
13
-0.00647
0.00000
0.02181
14
0.00250
0.00000
0.01228
15
-0.02669
0.00000
-0.00588
16
-0.03221
0.00000
0.00679
17
0.02668
0.00000
-0.00588
18
0.03221
0.00000
0.00679
19
-0.01663
0.00000
-0.01501
20
0.01663
0.00000
-0.01501
21
-0.00613
0.00000
-0.09891
22
0.00613
0.00000
-0.09890
23
-0.03101
0.00000
0.20472
24
-0.04444
0.00000
0.37625
25
0.03100
0.00000
0.20471
26
0.04444
0.00000
0.37625
27
0.06570
0.00000
0.06066
28
0.00137
0.00000
0.01756
29
-0.06570
0.00000
0.06066
30
-0.00137
0.00000
0.01756
31
0.02607
0.00000
-0.01049
32
-0.02607
0.00000
-0.01049
33
-0.24487
0.00000
-0.15058
34
0.24487
0.00000
-0.15058