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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.00200
Diff mu Y
(Debye)
0.00100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00038
0.00009
0.00000
2
0.00037
-0.00009
0.00000
3
-0.00033
0.00015
0.00000
4
0.00091
-0.00136
0.00000
5
-0.00093
0.00137
0.00000
6
0.00032
-0.00015
0.00000
7
0.00006
0.00004
0.00000
8
-0.00159
-0.00029
0.00000
9
0.00161
0.00029
0.00000
10
-0.00006
-0.00004
0.00000
11
-0.00168
-0.00052
0.00000
12
-0.03889
-0.00990
0.00000
13
0.03938
0.01003
0.00000
14
0.00166
0.00051
0.00000
15
0.02875
-0.03518
0.00000
16
-0.02839
0.03475
0.00000
17
0.00207
-0.00224
0.00000
18
-0.00204
0.00221
0.00000
19
0.00022
0.00105
0.00000
20
-0.00022
-0.00104
0.00000
21
-0.00010
-0.00003
0.00000
22
0.00010
0.00003
0.00000
23
-0.33358
0.37811
0.00000
24
0.32943
-0.37341
0.00000
25
-0.02197
0.02675
0.00000
26
0.02168
-0.02639
0.00000
27
-0.00333
-0.01096
0.00000
28
0.00330
0.01086
0.00000
29
-0.44009
-0.09085
0.00000
30
0.43461
0.08972
0.00000
31
-0.01794
-0.00491
0.00000
32
0.01773
0.00485
0.00000
33
0.00073
0.00026
0.00000
34
-0.00079
-0.00028
0.00000