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)
-0.30500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03193
2
0.00000
0.00000
-0.03193
3
0.00000
0.00000
-0.03907
4
0.00000
0.00000
0.08367
5
0.00000
0.00000
0.08367
6
0.00000
0.00000
-0.03907
7
0.00000
0.00000
-0.07343
8
0.00000
0.00000
-0.02683
9
0.00000
0.00000
-0.02683
10
0.00000
0.00000
-0.07343
11
0.00000
0.00000
0.09497
12
0.00000
0.00000
0.01730
13
0.00000
0.00000
0.01730
14
0.00000
0.00000
0.09497
15
0.00000
0.00000
-0.02531
16
0.00000
0.00000
-0.02531
17
0.00000
0.00000
0.01275
18
0.00000
0.00000
0.01275
19
0.00000
0.00000
-0.04971
20
0.00000
0.00000
-0.04971
21
0.00000
0.00000
0.06329
22
0.00000
0.00000
0.06329
23
0.00000
0.00000
-0.21686
24
0.00000
0.00000
-0.21686
25
0.00000
0.00000
-0.02725
26
0.00000
0.00000
-0.02725
27
0.00000
0.00000
-0.09687
28
0.00000
0.00000
-0.09688
29
0.00000
0.00000
-0.13544
30
0.00000
0.00000
-0.13544
31
0.00000
0.00000
-0.01974
32
0.00000
0.00000
-0.01974
33
0.00000
0.00000
0.19013
34
0.00000
0.00000
0.19013