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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
1.11400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02114
2
0.00000
0.00000
-0.02114
3
0.00000
0.00000
0.05613
4
0.00000
0.00000
-0.01286
5
0.00000
0.00000
-0.01286
6
0.00000
0.00000
0.05613
7
0.00000
0.00000
-0.00407
8
0.00000
0.00000
0.01616
9
0.00000
0.00000
0.01616
10
0.00000
0.00000
-0.00407
11
0.00000
0.00000
-0.00543
12
0.00000
0.00000
0.00369
13
0.00000
0.00000
0.00369
14
0.00000
0.00000
-0.00543
15
0.00000
0.00000
0.00896
16
0.00000
0.00000
0.00896
17
0.00000
0.00000
-0.03202
18
0.00000
0.00000
-0.03202
19
0.00000
0.00000
-0.05531
20
0.00000
0.00000
-0.05531
21
0.00000
0.00000
-0.02783
22
0.00000
0.00000
-0.02783
23
0.00000
0.00000
-0.06946
24
0.00000
0.00000
-0.06946
25
0.00000
0.00000
0.40282
26
0.00000
0.00000
0.40282
27
0.00000
0.00000
0.28319
28
0.00000
0.00000
0.28319
29
0.00000
0.00000
-0.02396
30
0.00000
0.00000
-0.02396
31
0.00000
0.00000
-0.08120
32
0.00000
0.00000
-0.08120
33
0.00000
0.00000
0.36638
34
0.00000
0.00000
0.36638