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)
-0.02900
Diff mu Y
(Debye)
0.15600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01301
-0.01475
0.00000
2
-0.01301
-0.01475
0.00000
3
0.04354
-0.00660
0.00000
4
-0.02430
0.01123
0.00000
5
-0.02430
0.01123
0.00000
6
0.04354
-0.00660
0.00000
7
0.03343
0.03701
0.00000
8
-0.02827
0.01584
0.00000
9
-0.02827
0.01583
0.00000
10
0.03343
0.03701
0.00000
11
0.01913
0.01711
0.00000
12
0.01969
-0.01773
0.00000
13
0.01969
-0.01773
0.00000
14
0.01913
0.01711
0.00000
15
-0.02560
0.00219
0.00000
16
-0.02559
0.00219
0.00000
17
0.08056
-0.00378
0.00000
18
0.08056
-0.00378
0.00000
19
-0.02305
-0.06014
0.00000
20
-0.02305
-0.06014
0.00000
21
-0.08698
0.01401
0.00000
22
-0.08698
0.01401
0.00000
23
-0.10057
-0.06242
0.00000
24
-0.10057
-0.06242
0.00000
25
0.23638
0.12566
0.00000
26
0.23638
0.12566
0.00000
27
0.04254
-0.08975
0.00000
28
0.04254
-0.08975
0.00000
29
0.03299
-0.07976
0.00000
30
0.03299
-0.07976
0.00000
31
-0.01569
-0.04974
0.00000
32
-0.01569
-0.04974
0.00000
33
-0.13808
0.22286
0.00000
34
-0.13808
0.22286
0.00000