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)
0.20900
Eigenvectors
#
X
Y
Z
1
-0.01080
0.00000
0.02149
2
0.01080
0.00000
0.02149
3
-0.04757
0.00000
-0.01321
4
0.00430
0.00000
-0.02578
5
0.04757
0.00000
-0.01321
6
-0.00430
0.00000
-0.02578
7
0.03154
0.00000
0.01867
8
0.04150
0.00000
0.02745
9
-0.03154
0.00000
0.01867
10
-0.04150
0.00000
0.02745
11
-0.05119
0.00000
-0.04421
12
-0.10440
0.00000
-0.05415
13
0.05119
0.00000
-0.04421
14
0.10440
0.00000
-0.05415
15
0.02084
0.00000
0.01703
16
0.05184
0.00000
-0.00691
17
-0.02083
0.00000
0.01703
18
-0.05184
0.00000
-0.00691
19
0.00197
0.00000
-0.00528
20
-0.00197
0.00000
-0.00528
21
0.03504
0.00000
0.03651
22
-0.03504
0.00000
0.03651
23
0.02625
0.00000
0.04477
24
0.05843
0.00000
0.08455
25
-0.02625
0.00000
0.04477
26
-0.05843
0.00000
0.08455
27
0.11933
0.00000
0.04772
28
0.24051
0.00000
0.14859
29
-0.11933
0.00000
0.04772
30
-0.24051
0.00000
0.14859
31
0.07319
0.00000
0.01620
32
-0.07318
0.00000
0.01620
33
0.00746
0.00000
-0.00387
34
-0.00746
0.00000
-0.00386