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)
0.50200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03806
0.00000
-0.00856
2
0.03806
0.00000
0.00856
3
-0.02953
0.00000
0.03503
4
-0.04498
0.00000
0.05060
5
-0.02953
0.00000
-0.03503
6
-0.04498
0.00000
-0.05060
7
0.01020
0.00000
0.03736
8
-0.03302
0.00000
-0.02024
9
0.01021
0.00000
-0.03736
10
-0.03302
0.00000
0.02024
11
0.01083
0.00000
-0.02038
12
0.04992
0.00000
0.00535
13
0.01083
0.00000
0.02038
14
0.04992
0.00000
-0.00535
15
-0.03641
0.00000
0.01994
16
-0.02292
0.00000
-0.00809
17
-0.03641
0.00000
-0.01994
18
-0.02292
0.00000
0.00809
19
0.00124
0.00000
-0.02386
20
0.00124
0.00000
0.02387
21
0.04680
0.00000
-0.01263
22
0.04680
0.00000
0.01263
23
-0.03902
0.00000
0.08248
24
-0.02223
0.00000
-0.13801
25
-0.03902
0.00000
-0.08246
26
-0.02223
0.00000
0.13801
27
0.05255
0.00000
0.00318
28
0.38150
0.00000
0.20187
29
0.05256
0.00000
-0.00319
30
0.38150
0.00000
-0.20187
31
-0.18575
0.00000
0.05476
32
-0.18575
0.00000
-0.05476
33
-0.07025
0.00000
-0.06832
34
-0.07024
0.00000
0.06831