Charge: -1
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-1
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)
0.16100
Diff mu Y
(Debye)
0.25000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01703
-0.04042
0.00000
2
0.01705
-0.04041
0.00000
3
-0.04224
0.09243
0.00000
4
-0.04464
-0.03225
0.00000
5
-0.04463
-0.03224
0.00000
6
-0.04225
0.09243
0.00000
7
0.00754
-0.03083
0.00000
8
0.01372
0.05013
0.00000
9
0.01371
0.05013
0.00000
10
0.00754
-0.03084
0.00000
11
0.08382
-0.03649
0.00000
12
0.02634
0.03277
0.00000
13
0.02634
0.03279
0.00000
14
0.08382
-0.03649
0.00000
15
-0.05002
-0.03273
0.00000
16
-0.05001
-0.03272
0.00000
17
-0.05294
-0.02061
0.00000
18
-0.05293
-0.02062
0.00000
19
0.03275
0.01132
0.00000
20
0.03273
0.01133
0.00000
21
-0.00669
-0.00875
0.00000
22
-0.00668
-0.00874
0.00000
23
0.02574
0.02827
0.00000
24
0.02571
0.02826
0.00000
25
0.13655
0.14587
0.00000
26
0.13659
0.14588
0.00000
27
-0.04020
0.03914
0.00000
28
-0.04012
0.03912
0.00000
29
0.04063
-0.02201
0.00000
30
0.04063
-0.02203
0.00000
31
0.03605
-0.05106
0.00000
32
0.03606
-0.05105
0.00000
33
-0.01642
0.04332
0.00000
34
-0.01640
0.04328
0.00000