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)
-0.21600
Diff mu Y
(Debye)
0.23400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01113
0.01928
0.00000
2
-0.01112
0.01928
0.00000
3
0.00527
-0.01912
0.00000
4
0.01746
-0.06239
0.00000
5
0.01746
-0.06239
0.00000
6
0.00527
-0.01913
0.00000
7
0.00668
0.06130
0.00000
8
0.00674
0.01424
0.00000
9
0.00674
0.01424
0.00000
10
0.00668
0.06130
0.00000
11
-0.02860
-0.03411
0.00000
12
-0.02476
0.04248
0.00000
13
-0.02476
0.04248
0.00000
14
-0.02860
-0.03411
0.00000
15
0.03834
0.01511
0.00000
16
0.03834
0.01511
0.00000
17
-0.02878
0.02651
0.00000
18
-0.02878
0.02651
0.00000
19
0.09128
-0.01481
0.00000
20
0.09128
-0.01481
0.00000
21
-0.03236
-0.04882
0.00000
22
-0.03236
-0.04882
0.00000
23
-0.09435
-0.10273
0.00000
24
-0.09435
-0.10273
0.00000
25
-0.06618
0.00384
0.00000
26
-0.06618
0.00384
0.00000
27
-0.26269
0.10181
0.00000
28
-0.26269
0.10181
0.00000
29
0.01110
-0.13909
0.00000
30
0.01110
-0.13909
0.00000
31
0.01697
-0.01427
0.00000
32
0.01697
-0.01427
0.00000
33
-0.08273
0.15425
0.00000
34
-0.08273
0.15425
0.00000