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)
-2.15100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00964
0.00000
-0.03747
2
-0.00964
0.00000
0.03747
3
-0.00319
0.00000
0.06291
4
-0.01370
0.00000
0.01344
5
-0.00318
0.00000
-0.06291
6
-0.01372
0.00000
-0.01344
7
0.04555
0.00000
-0.03378
8
0.03045
0.00000
-0.03570
9
0.04554
0.00000
0.03378
10
0.03046
0.00000
0.03572
11
-0.02012
0.00000
0.04248
12
0.01732
0.00000
0.05833
13
-0.02011
0.00000
-0.04248
14
0.01735
0.00000
-0.05836
15
-0.00099
0.00000
-0.08835
16
-0.01175
0.00000
-0.07139
17
-0.00099
0.00000
0.08833
18
-0.01177
0.00000
0.07141
19
-0.01616
0.00000
-0.00426
20
-0.01618
0.00000
0.00426
21
-0.00035
0.00000
0.02171
22
-0.00035
0.00000
-0.02170
23
0.00148
0.00000
0.24303
24
-0.01904
0.00000
0.15217
25
0.00148
0.00000
-0.24295
26
-0.01906
0.00000
-0.15219
27
-0.01379
0.00000
0.05512
28
-0.09945
0.00000
-0.00356
29
-0.01382
0.00000
-0.05509
30
-0.09954
0.00000
0.00360
31
-0.14657
0.00000
0.05698
32
-0.14668
0.00000
-0.05702
33
0.07019
0.00000
0.04613
34
0.07021
0.00000
-0.04615