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)
-0.04700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02677
0.00000
-0.03039
2
-0.02677
0.00000
0.03039
3
0.01132
0.00000
-0.04788
4
-0.00844
0.00000
0.03253
5
0.01132
0.00000
0.04788
6
-0.00844
0.00000
-0.03254
7
0.01656
0.00000
-0.06948
8
0.03457
0.00000
0.05748
9
0.01656
0.00000
0.06948
10
0.03457
0.00000
-0.05749
11
0.02750
0.00000
0.03702
12
0.03957
0.00000
-0.00054
13
0.02750
0.00000
-0.03702
14
0.03957
0.00000
0.00054
15
-0.04084
0.00000
0.08203
16
0.01993
0.00000
-0.00617
17
-0.04084
0.00000
-0.08203
18
0.01993
0.00000
0.00617
19
-0.03176
0.00000
-0.05835
20
-0.03176
0.00000
0.05835
21
-0.04360
0.00000
0.04572
22
-0.04360
0.00000
-0.04572
23
-0.04094
0.00000
0.12641
24
0.01800
0.00000
0.05778
25
-0.04094
0.00000
-0.12641
26
0.01800
0.00000
-0.05778
27
0.11896
0.00000
0.08761
28
0.00867
0.00000
-0.01799
29
0.11896
0.00000
-0.08760
30
0.00867
0.00000
0.01799
31
0.02825
0.00000
0.06085
32
0.02825
0.00000
-0.06086
33
-0.10952
0.00000
-0.10363
34
-0.10953
0.00000
0.10363