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
0.00017
-0.02894
0.00000
2
-0.00017
0.02894
0.00000
3
-0.01306
-0.05436
0.00000
4
-0.03343
-0.00333
0.00000
5
0.03343
0.00333
0.00000
6
0.01306
0.05436
0.00000
7
0.00748
-0.03752
0.00000
8
0.05892
-0.03629
0.00000
9
-0.05893
0.03629
0.00000
10
-0.00748
0.03752
0.00000
11
-0.01590
-0.02273
0.00000
12
-0.04877
0.01281
0.00000
13
0.04877
-0.01281
0.00000
14
0.01590
0.02273
0.00000
15
-0.07247
0.02683
0.00000
16
0.07248
-0.02683
0.00000
17
0.04503
-0.02470
0.00000
18
-0.04503
0.02470
0.00000
19
0.02801
0.09503
0.00000
20
-0.02801
-0.09503
0.00000
21
-0.05275
0.01068
0.00000
22
0.05275
-0.01068
0.00000
23
-0.11811
-0.01270
0.00000
24
0.11811
0.01270
0.00000
25
-0.00070
-0.06283
0.00000
26
0.00070
0.06283
0.00000
27
0.02826
0.09583
0.00000
28
-0.02827
-0.09583
0.00000
29
0.07320
-0.12749
0.00000
30
-0.07320
0.12749
0.00000
31
-0.07231
0.09949
0.00000
32
0.07231
-0.09949
0.00000
33
-0.04143
-0.03498
0.00000
34
0.04143
0.03498
0.00000