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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01986
2
0.00000
0.00000
-0.01986
3
0.00000
0.00000
-0.00332
4
0.00000
0.00000
-0.04123
5
0.00000
0.00000
0.04123
6
0.00000
0.00000
0.00332
7
0.00000
0.00000
0.03872
8
0.00000
0.00000
0.07977
9
0.00000
0.00000
-0.07977
10
0.00000
0.00000
-0.03873
11
0.00000
0.00000
-0.06276
12
0.00000
0.00000
-0.08160
13
0.00000
0.00000
0.08160
14
0.00000
0.00000
0.06276
15
0.00000
0.00000
-0.06968
16
0.00000
0.00000
0.06968
17
0.00000
0.00000
0.05216
18
0.00000
0.00000
-0.05216
19
0.00000
0.00000
0.00522
20
0.00000
0.00000
-0.00522
21
0.00000
0.00000
-0.05813
22
0.00000
0.00000
0.05813
23
0.00000
0.00000
-0.13260
24
0.00000
0.00000
0.13260
25
0.00000
0.00000
0.16273
26
0.00000
0.00000
-0.16273
27
0.00000
0.00000
0.02516
28
0.00000
0.00000
-0.02516
29
0.00000
0.00000
0.16357
30
0.00000
0.00000
-0.16357
31
0.00000
0.00000
-0.16589
32
0.00000
0.00000
0.16589
33
0.00000
0.00000
-0.14665
34
0.00000
0.00000
0.14665