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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08786
-0.03467
0.00000
2
0.08786
0.03467
0.00000
3
-0.00971
0.04954
0.00000
4
-0.07941
0.01415
0.00000
5
0.07941
-0.01415
0.00000
6
0.00971
-0.04954
0.00000
7
0.03187
-0.02293
0.00000
8
0.00661
-0.01921
0.00000
9
-0.00661
0.01921
0.00000
10
-0.03187
0.02293
0.00000
11
0.03520
0.00648
0.00000
12
0.02249
-0.04265
0.00000
13
-0.02249
0.04265
0.00000
14
-0.03520
-0.00649
0.00000
15
-0.00282
-0.01972
0.00000
16
0.00282
0.01972
0.00000
17
-0.03528
-0.04554
0.00000
18
0.03528
0.04554
0.00000
19
-0.00685
0.00461
0.00000
20
0.00685
-0.00461
0.00000
21
-0.01107
0.04633
0.00000
22
0.01108
-0.04633
0.00000
23
-0.04414
-0.05809
0.00000
24
0.04414
0.05809
0.00000
25
0.15404
0.11561
0.00000
26
-0.15404
-0.11561
0.00000
27
0.15776
-0.04909
0.00000
28
-0.15776
0.04909
0.00000
29
-0.00785
-0.01884
0.00000
30
0.00785
0.01884
0.00000
31
0.03914
-0.18947
0.00000
32
-0.03914
0.18947
0.00000
33
0.04083
-0.18594
0.00000
34
-0.04083
0.18594
0.00000