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)
-0.10100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00036
0.00000
0.00009
2
0.00036
0.00000
-0.00009
3
-0.00012
0.00000
0.00021
4
0.00020
0.00000
0.00008
5
-0.00012
0.00000
-0.00021
6
0.00020
0.00000
-0.00008
7
-0.00013
0.00000
-0.00013
8
0.00436
0.00000
0.00974
9
-0.00013
0.00000
0.00013
10
0.00436
0.00000
-0.00974
11
0.00505
0.00000
-0.00928
12
0.01853
0.00000
-0.02957
13
0.00505
0.00000
0.00928
14
0.01852
0.00000
0.02956
15
-0.00462
0.00000
0.00041
16
-0.04248
0.00000
0.00007
17
-0.00462
0.00000
-0.00041
18
-0.04247
0.00000
-0.00007
19
0.00134
0.00000
-0.00242
20
0.00134
0.00000
0.00243
21
-0.00001
0.00000
0.00128
22
-0.00001
0.00000
-0.00128
23
0.05753
0.00000
-0.00197
24
0.49820
0.00000
0.00712
25
0.05750
0.00000
0.00198
26
0.49800
0.00000
-0.00711
27
-0.05940
0.00000
0.10607
28
-0.21173
0.00000
0.35790
29
-0.05940
0.00000
-0.10607
30
-0.21166
0.00000
-0.35777
31
-0.05996
0.00000
-0.11545
32
-0.05994
0.00000
0.11542
33
-0.01599
0.00000
0.02850
34
-0.01600
0.00000
-0.02851