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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.06100
Eigenvectors
#
X
Y
Z
1
0.11486
0.00000
-0.01355
2
-0.11486
0.00000
-0.01354
3
0.03461
0.00000
0.03530
4
-0.05705
0.00000
-0.04228
5
-0.03461
0.00000
0.03530
6
0.05705
0.00000
-0.04228
7
0.01585
0.00000
-0.01161
8
0.00351
0.00000
0.03832
9
-0.01585
0.00000
-0.01161
10
-0.00351
0.00000
0.03832
11
0.01340
0.00000
-0.00399
12
-0.01390
0.00000
-0.00029
13
-0.01339
0.00000
-0.00399
14
0.01390
0.00000
-0.00029
15
-0.08098
0.00000
0.03139
16
0.05622
0.00000
-0.02447
17
0.08098
0.00000
0.03139
18
-0.05622
0.00000
-0.02447
19
-0.00257
0.00000
0.00210
20
0.00257
0.00000
0.00210
21
0.02824
0.00000
-0.01290
22
-0.02824
0.00000
-0.01290
23
-0.08445
0.00000
0.05631
24
0.05851
0.00000
-0.03047
25
0.08445
0.00000
0.05631
26
-0.05851
0.00000
-0.03047
27
0.14600
0.00000
0.07182
28
-0.15470
0.00000
-0.08352
29
-0.14600
0.00000
0.07182
30
0.15470
0.00000
-0.08352
31
0.03791
0.00000
0.02054
32
-0.03791
0.00000
0.02054
33
-0.02537
0.00000
-0.01141
34
0.02537
0.00000
-0.01141