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)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.22200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02997
0.00000
0.04874
2
0.02997
0.00000
-0.04874
3
-0.00929
0.00000
-0.06281
4
-0.01337
0.00000
0.03374
5
-0.00929
0.00000
0.06281
6
-0.01338
0.00000
-0.03374
7
0.02554
0.00000
0.05665
8
0.02755
0.00000
-0.01633
9
0.02554
0.00000
-0.05665
10
0.02755
0.00000
0.01633
11
-0.06593
0.00000
-0.07746
12
-0.02028
0.00000
0.00007
13
-0.06593
0.00000
0.07746
14
-0.02028
0.00000
-0.00007
15
0.03589
0.00000
0.09422
16
0.01395
0.00000
-0.01706
17
0.03589
0.00000
-0.09422
18
0.01395
0.00000
0.01706
19
-0.01014
0.00000
-0.02129
20
-0.01014
0.00000
0.02129
21
-0.03025
0.00000
-0.04996
22
-0.03025
0.00000
0.04995
23
0.04336
0.00000
-0.11185
24
0.01485
0.00000
0.02552
25
0.04336
0.00000
0.11185
26
0.01485
0.00000
-0.02553
27
0.12370
0.00000
0.02019
28
0.01144
0.00000
0.01920
29
0.12370
0.00000
-0.02019
30
0.01144
0.00000
-0.01920
31
-0.02670
0.00000
0.01181
32
-0.02670
0.00000
-0.01181
33
0.02812
0.00000
0.00054
34
0.02812
0.00000
-0.00054