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)
0.05200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01012
0.00000
-0.03575
2
-0.01013
0.00000
0.03575
3
0.02914
0.00000
-0.03056
4
-0.04548
0.00000
0.03684
5
0.02913
0.00000
0.03056
6
-0.04547
0.00000
-0.03684
7
0.05499
0.00000
-0.03383
8
-0.05432
0.00000
0.05103
9
0.05498
0.00000
0.03384
10
-0.05432
0.00000
-0.05104
11
0.05861
0.00000
-0.04627
12
-0.05936
0.00000
0.05716
13
0.05860
0.00000
0.04627
14
-0.05936
0.00000
-0.05716
15
0.03148
0.00000
-0.03231
16
-0.03967
0.00000
0.04266
17
0.03147
0.00000
0.03231
18
-0.03966
0.00000
-0.04266
19
0.04955
0.00000
-0.02370
20
0.04955
0.00000
0.02370
21
-0.01145
0.00000
-0.04957
22
-0.01146
0.00000
0.04957
23
0.03138
0.00000
0.00828
24
-0.03944
0.00000
0.01620
25
0.03137
0.00000
-0.00828
26
-0.03943
0.00000
-0.01619
27
0.06085
0.00000
-0.04498
28
-0.06484
0.00000
0.05436
29
0.06084
0.00000
0.04498
30
-0.06484
0.00000
-0.05436
31
-0.05320
0.00000
0.05113
32
-0.05320
0.00000
-0.05113
33
0.02534
0.00000
-0.03777
34
0.02534
0.00000
0.03777