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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.14200
Diff mu Y
(Debye)
-0.08800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05763
0.00169
0.00000
2
-0.05763
0.00169
0.00000
3
-0.02966
-0.00142
0.00000
4
-0.05965
0.00109
0.00000
5
-0.05965
0.00109
0.00000
6
-0.02966
-0.00142
0.00000
7
-0.02555
-0.02678
0.00000
8
-0.04312
-0.02246
0.00000
9
-0.04312
-0.02246
0.00000
10
-0.02555
-0.02678
0.00000
11
0.01193
0.02935
0.00000
12
-0.02746
0.04334
0.00000
13
-0.02747
0.04334
0.00000
14
0.01193
0.02935
0.00000
15
0.00468
0.04217
0.00000
16
0.00468
0.04217
0.00000
17
0.07654
0.01597
0.00000
18
0.07654
0.01596
0.00000
19
0.08815
-0.02482
0.00000
20
0.08815
-0.02482
0.00000
21
0.04312
-0.05742
0.00000
22
0.04312
-0.05742
0.00000
23
0.01289
0.05004
0.00000
24
0.01289
0.05004
0.00000
25
0.10985
0.04565
0.00000
26
0.10985
0.04565
0.00000
27
0.12142
-0.03586
0.00000
28
0.12142
-0.03585
0.00000
29
-0.03606
0.08346
0.00000
30
-0.03606
0.08346
0.00000
31
-0.04109
-0.03642
0.00000
32
-0.04109
-0.03642
0.00000
33
0.05518
-0.11516
0.00000
34
0.05518
-0.11516
0.00000