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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00107
2
0.00000
0.00000
-0.00107
3
0.00000
0.00000
0.00137
4
0.00000
0.00000
0.01209
5
0.00000
0.00000
-0.01209
6
0.00000
0.00000
-0.00137
7
0.00000
0.00000
0.00985
8
0.00000
0.00000
-0.01777
9
0.00000
0.00000
0.01777
10
0.00000
0.00000
-0.00985
11
0.00000
0.00000
0.01364
12
0.00000
0.00000
-0.05147
13
0.00000
0.00000
0.05147
14
0.00000
0.00000
-0.01364
15
0.00000
0.00000
-0.05388
16
0.00000
0.00000
0.05388
17
0.00000
0.00000
-0.03738
18
0.00000
0.00000
0.03738
19
0.00000
0.00000
0.05602
20
0.00000
0.00000
-0.05602
21
0.00000
0.00000
-0.03820
22
0.00000
0.00000
0.03820
23
0.00000
0.00000
0.29727
24
0.00000
0.00000
-0.29727
25
0.00000
0.00000
0.19151
26
0.00000
0.00000
-0.19151
27
0.00000
0.00000
-0.30787
28
0.00000
0.00000
0.30787
29
0.00000
0.00000
-0.28686
30
0.00000
0.00000
0.28686
31
0.00000
0.00000
-0.07596
32
0.00000
0.00000
0.07596
33
0.00000
0.00000
0.20454
34
0.00000
0.00000
-0.20454