Charge: 2
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.38100
Diff mu Y
(Debye)
0.30100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00955
0.02652
0.00000
2
0.00955
0.02649
0.00000
3
0.00658
-0.05705
0.00000
4
-0.00741
-0.01555
0.00000
5
-0.00741
-0.01558
0.00000
6
0.00658
-0.05703
0.00000
7
-0.01373
0.05642
0.00000
8
0.01239
-0.02846
0.00000
9
0.01239
-0.02844
0.00000
10
-0.01373
0.05641
0.00000
11
0.01263
0.06908
0.00000
12
0.01594
0.08782
0.00000
13
0.01595
0.08785
0.00000
14
0.01263
0.06907
0.00000
15
-0.04544
-0.08827
0.00000
16
-0.04543
-0.08825
0.00000
17
-0.00309
-0.03348
0.00000
18
-0.00309
-0.03347
0.00000
19
-0.03208
0.03112
0.00000
20
-0.03207
0.03112
0.00000
21
0.02194
-0.05786
0.00000
22
0.02193
-0.05785
0.00000
23
0.11812
0.04538
0.00000
24
0.11809
0.04538
0.00000
25
0.04710
0.00750
0.00000
26
0.04710
0.00750
0.00000
27
0.05447
0.00566
0.00000
28
0.05446
0.00567
0.00000
29
0.05823
-0.07221
0.00000
30
0.05821
-0.07218
0.00000
31
-0.00294
0.05257
0.00000
32
-0.00295
0.05260
0.00000
33
-0.00453
0.07636
0.00000
34
-0.00453
0.07635
0.00000