Charge: 2
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+2
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)
0.05200
Diff mu Y
(Debye)
-0.19600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02869
0.05439
0.00000
2
-0.02869
0.05439
0.00000
3
0.02723
0.02793
0.00000
4
-0.01769
0.00646
0.00000
5
-0.01769
0.00646
0.00000
6
0.02723
0.02793
0.00000
7
0.05067
-0.05905
0.00000
8
0.07340
-0.04152
0.00000
9
0.07340
-0.04152
0.00000
10
0.05067
-0.05905
0.00000
11
0.01564
0.03043
0.00000
12
-0.01119
0.03164
0.00000
13
-0.01119
0.03164
0.00000
14
0.01564
0.03043
0.00000
15
0.03125
0.02316
0.00000
16
0.03124
0.02316
0.00000
17
-0.05395
0.04343
0.00000
18
-0.05395
0.04343
0.00000
19
-0.04962
-0.05866
0.00000
20
-0.04962
-0.05866
0.00000
21
-0.03936
-0.05972
0.00000
22
-0.03936
-0.05972
0.00000
23
0.04965
0.03986
0.00000
24
0.04965
0.03986
0.00000
25
-0.04414
0.05070
0.00000
26
-0.04414
0.05070
0.00000
27
0.01696
-0.08060
0.00000
28
0.01695
-0.08060
0.00000
29
-0.02171
0.08041
0.00000
30
-0.02171
0.08041
0.00000
31
0.08068
-0.08080
0.00000
32
0.08068
-0.08079
0.00000
33
-0.05388
0.00833
0.00000
34
-0.05387
0.00833
0.00000