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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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)
0.87200
Diff mu Y
(Debye)
1.85400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00026
-0.00037
0.00000
2
-0.00026
-0.00037
0.00000
3
0.00001
-0.00019
0.00000
4
0.00019
-0.00018
0.00000
5
0.00019
-0.00018
0.00000
6
0.00001
-0.00019
0.00000
7
0.00017
-0.00074
0.00000
8
-0.01979
-0.00346
0.00000
9
-0.01979
-0.00346
0.00000
10
0.00017
-0.00074
0.00000
11
-0.00033
0.00034
0.00000
12
-0.02810
-0.00562
0.00000
13
-0.02810
-0.00562
0.00000
14
-0.00033
0.00034
0.00000
15
0.01377
-0.01614
0.00000
16
0.01377
-0.01614
0.00000
17
0.01067
-0.01366
0.00000
18
0.01067
-0.01366
0.00000
19
0.01125
0.03489
0.00000
20
0.01125
0.03489
0.00000
21
0.00443
0.00009
0.00000
22
0.00443
0.00009
0.00000
23
-0.16519
0.19643
0.00000
24
-0.16519
0.19643
0.00000
25
-0.13619
0.16454
0.00000
26
-0.13619
0.16454
0.00000
27
-0.13584
-0.39199
0.00000
28
-0.13584
-0.39199
0.00000
29
0.33225
0.06051
0.00000
30
0.33225
0.06051
0.00000
31
0.23614
0.03952
0.00000
32
0.23614
0.03952
0.00000
33
-0.03608
-0.00878
0.00000
34
-0.03608
-0.00878
0.00000