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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.43400
Eigenvectors
#
X
Y
Z
1
-0.01372
0.00000
-0.03072
2
0.01373
0.00000
-0.03072
3
-0.03116
0.00000
0.03303
4
-0.01366
0.00000
0.01542
5
0.03116
0.00000
0.03303
6
0.01366
0.00000
0.01542
7
0.03649
0.00000
-0.02380
8
0.02592
0.00000
-0.01058
9
-0.03649
0.00000
-0.02380
10
-0.02592
0.00000
-0.01058
11
0.04233
0.00000
0.07025
12
-0.02043
0.00000
-0.00069
13
-0.04233
0.00000
0.07025
14
0.02043
0.00000
-0.00069
15
-0.02988
0.00000
-0.09540
16
0.01411
0.00000
-0.01971
17
0.02988
0.00000
-0.09540
18
-0.01411
0.00000
-0.01972
19
-0.10130
0.00000
-0.01623
20
0.10129
0.00000
-0.01623
21
0.02190
0.00000
0.05301
22
-0.02190
0.00000
0.05301
23
-0.03725
0.00000
0.12373
24
0.01508
0.00000
0.03240
25
0.03725
0.00000
0.12373
26
-0.01508
0.00000
0.03241
27
-0.09327
0.00000
0.00423
28
0.01936
0.00000
0.02372
29
0.09328
0.00000
0.00423
30
-0.01936
0.00000
0.02372
31
-0.02918
0.00000
0.01953
32
0.02918
0.00000
0.01953
33
0.08308
0.00000
0.09901
34
-0.08308
0.00000
0.09901