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)
1.10200
Eigenvectors
#
X
Y
Z
1
0.02880
0.00000
-0.09002
2
-0.02880
0.00000
-0.09003
3
0.04835
0.00000
-0.00665
4
0.06951
0.00000
0.09038
5
-0.04835
0.00000
-0.00665
6
-0.06951
0.00000
0.09039
7
-0.04624
0.00000
0.05762
8
0.02726
0.00000
-0.03756
9
0.04624
0.00000
0.05762
10
-0.02726
0.00000
-0.03756
11
0.01786
0.00000
-0.01302
12
-0.01108
0.00000
0.00214
13
-0.01786
0.00000
-0.01302
14
0.01108
0.00000
0.00214
15
-0.00833
0.00000
-0.01059
16
-0.00057
0.00000
0.02020
17
0.00833
0.00000
-0.01059
18
0.00057
0.00000
0.02020
19
-0.03864
0.00000
-0.01711
20
0.03864
0.00000
-0.01711
21
0.00806
0.00000
0.01638
22
-0.00806
0.00000
0.01638
23
-0.00795
0.00000
0.05867
24
0.00046
0.00000
-0.07291
25
0.00795
0.00000
0.05867
26
-0.00046
0.00000
-0.07291
27
0.13537
0.00000
0.05431
28
-0.15344
0.00000
-0.08285
29
-0.13538
0.00000
0.05431
30
0.15344
0.00000
-0.08285
31
0.06043
0.00000
-0.05624
32
-0.06043
0.00000
-0.05624
33
-0.08563
0.00000
-0.04128
34
0.08563
0.00000
-0.04128