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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03807
-0.02899
0.00000
2
-0.03807
0.02899
0.00000
3
-0.03799
-0.02109
0.00000
4
-0.05873
-0.04875
0.00000
5
0.05873
0.04875
0.00000
6
0.03799
0.02109
0.00000
7
-0.06500
0.05504
0.00000
8
0.06925
-0.00351
0.00000
9
-0.06925
0.00351
0.00000
10
0.06500
-0.05504
0.00000
11
0.06186
0.02711
0.00000
12
0.04065
-0.03221
0.00000
13
-0.04065
0.03221
0.00000
14
-0.06186
-0.02711
0.00000
15
0.00311
-0.02236
0.00000
16
-0.00311
0.02236
0.00000
17
0.00510
0.00532
0.00000
18
-0.00510
-0.00532
0.00000
19
-0.00172
-0.04947
0.00000
20
0.00172
0.04947
0.00000
21
0.00128
0.03892
0.00000
22
-0.00128
-0.03892
0.00000
23
-0.17995
-0.17889
0.00000
24
0.17995
0.17889
0.00000
25
-0.08214
-0.07636
0.00000
26
0.08214
0.07636
0.00000
27
0.01680
-0.05724
0.00000
28
-0.01680
0.05724
0.00000
29
-0.02544
-0.02588
0.00000
30
0.02544
0.02588
0.00000
31
-0.08267
0.03754
0.00000
32
0.08267
-0.03754
0.00000
33
0.01553
-0.05279
0.00000
34
-0.01553
0.05279
0.00000