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)
0.25300
Diff mu Y
(Debye)
-0.10000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00033
0.00011
0.00000
2
-0.00033
0.00011
0.00000
3
-0.00043
0.00017
0.00000
4
-0.00092
0.00135
0.00000
5
-0.00091
0.00134
0.00000
6
-0.00044
0.00017
0.00000
7
-0.00006
-0.00011
0.00000
8
0.00152
0.00028
0.00000
9
0.00150
0.00027
0.00000
10
-0.00006
-0.00011
0.00000
11
-0.00163
-0.00052
0.00000
12
0.03943
0.01009
0.00000
13
0.03894
0.00996
0.00000
14
-0.00166
-0.00053
0.00000
15
0.02832
-0.03474
0.00000
16
0.02868
-0.03517
0.00000
17
0.00219
-0.00243
0.00000
18
0.00222
-0.00245
0.00000
19
0.00017
0.00087
0.00000
20
0.00017
0.00088
0.00000
21
0.00045
0.00013
0.00000
22
0.00045
0.00013
0.00000
23
-0.32905
0.37296
0.00000
24
-0.33321
0.37767
0.00000
25
-0.02365
0.02861
0.00000
26
-0.02392
0.02894
0.00000
27
-0.00262
-0.00902
0.00000
28
-0.00266
-0.00915
0.00000
29
-0.43506
-0.08983
0.00000
30
-0.44054
-0.09096
0.00000
31
-0.01649
-0.00463
0.00000
32
-0.01671
-0.00469
0.00000
33
-0.00518
-0.00107
0.00000
34
-0.00517
-0.00107
0.00000