Charge: 2
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+2
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)
-0.07500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07103
0.00000
0.00582
2
-0.07103
0.00000
-0.00583
3
-0.09004
0.00000
-0.01132
4
-0.08394
0.00000
-0.02015
5
-0.09004
0.00000
0.01132
6
-0.08394
0.00000
0.02015
7
-0.00055
0.00000
-0.00593
8
0.01144
0.00000
0.00091
9
-0.00055
0.00000
0.00593
10
0.01144
0.00000
-0.00091
11
0.04654
0.00000
-0.04418
12
0.04014
0.00000
-0.04525
13
0.04654
0.00000
0.04418
14
0.04014
0.00000
0.04526
15
0.06693
0.00000
-0.03467
16
0.05835
0.00000
-0.03389
17
0.06693
0.00000
0.03467
18
0.05835
0.00000
0.03389
19
0.00252
0.00000
-0.01974
20
0.00252
0.00000
0.01974
21
0.00728
0.00000
0.00656
22
0.00728
0.00000
-0.00656
23
0.07046
0.00000
-0.01749
24
0.06126
0.00000
-0.01904
25
0.07046
0.00000
0.01749
26
0.06126
0.00000
0.01904
27
0.00072
0.00000
-0.07314
28
-0.00990
0.00000
-0.07784
29
0.00072
0.00000
0.07314
30
-0.00990
0.00000
0.07784
31
0.05280
0.00000
-0.02448
32
0.05280
0.00000
0.02447
33
-0.02822
0.00000
-0.03811
34
-0.02822
0.00000
0.03811