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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
0.37900
Diff mu Y
(Debye)
-1.35300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03568
0.03325
0.00000
2
0.03568
0.03325
0.00000
3
-0.01739
-0.04580
0.00000
4
-0.00740
0.09206
0.00000
5
-0.00740
0.09206
0.00000
6
-0.01739
-0.04580
0.00000
7
-0.02372
-0.08800
0.00000
8
-0.03372
0.00277
0.00000
9
-0.03372
0.00277
0.00000
10
-0.02372
-0.08800
0.00000
11
0.01541
0.01684
0.00000
12
-0.00200
0.00383
0.00000
13
-0.00200
0.00383
0.00000
14
0.01541
0.01684
0.00000
15
0.01414
-0.01421
0.00000
16
0.01414
-0.01421
0.00000
17
0.01158
0.00596
0.00000
18
0.01158
0.00596
0.00000
19
-0.00144
0.00756
0.00000
20
-0.00144
0.00756
0.00000
21
0.02920
0.00236
0.00000
22
0.02920
0.00236
0.00000
23
-0.13891
-0.15029
0.00000
24
-0.13891
-0.15029
0.00000
25
-0.03939
-0.04043
0.00000
26
-0.03939
-0.04043
0.00000
27
-0.06955
0.03226
0.00000
28
-0.06955
0.03226
0.00000
29
0.03383
-0.14350
0.00000
30
0.03383
-0.14350
0.00000
31
-0.00039
-0.19513
0.00000
32
-0.00039
-0.19513
0.00000
33
-0.02785
0.29905
0.00000
34
-0.02785
0.29905
0.00000