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)
0.26600
Diff mu Y
(Debye)
-0.06000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04730
0.00049
0.00000
2
-0.04730
0.00049
0.00000
3
-0.01249
0.00311
0.00000
4
0.04807
-0.01288
0.00000
5
0.04807
-0.01288
0.00000
6
-0.01249
0.00311
0.00000
7
-0.02034
-0.00112
0.00000
8
-0.00289
-0.01907
0.00000
9
-0.00289
-0.01907
0.00000
10
-0.02034
-0.00112
0.00000
11
0.05576
-0.00810
0.00000
12
-0.03092
-0.02890
0.00000
13
-0.03092
-0.02890
0.00000
14
0.05576
-0.00810
0.00000
15
-0.01218
0.04205
0.00000
16
-0.01218
0.04205
0.00000
17
0.01692
0.02764
0.00000
18
0.01692
0.02764
0.00000
19
-0.03590
-0.01333
0.00000
20
-0.03590
-0.01333
0.00000
21
0.02747
0.00323
0.00000
22
0.02747
0.00323
0.00000
23
0.22835
0.25773
0.00000
24
0.22835
0.25773
0.00000
25
0.04963
0.05514
0.00000
26
0.04963
0.05514
0.00000
27
-0.14832
0.02285
0.00000
28
-0.14831
0.02285
0.00000
29
0.04029
-0.38510
0.00000
30
0.04029
-0.38510
0.00000
31
-0.02619
0.09175
0.00000
32
-0.02619
0.09175
0.00000
33
0.02064
0.03966
0.00000
34
0.02063
0.03966
0.00000