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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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
0.07006
-0.01284
0.00000
2
-0.07006
0.01284
0.00000
3
-0.06292
0.03946
0.00000
4
0.03921
0.01090
0.00000
5
-0.03921
-0.01090
0.00000
6
0.06292
-0.03946
0.00000
7
0.05460
-0.05986
0.00000
8
-0.02527
0.01711
0.00000
9
0.02527
-0.01711
0.00000
10
-0.05460
0.05986
0.00000
11
0.01895
-0.05966
0.00000
12
-0.00527
-0.00440
0.00000
13
0.00527
0.00440
0.00000
14
-0.01895
0.05966
0.00000
15
0.00153
0.01300
0.00000
16
-0.00153
-0.01300
0.00000
17
0.00108
0.03893
0.00000
18
-0.00108
-0.03893
0.00000
19
0.04758
-0.04605
0.00000
20
-0.04758
0.04605
0.00000
21
-0.04247
0.07918
0.00000
22
0.04247
-0.07918
0.00000
23
-0.04425
-0.03258
0.00000
24
0.04425
0.03258
0.00000
25
-0.06064
-0.01670
0.00000
26
0.06064
0.01670
0.00000
27
-0.10621
0.00045
0.00000
28
0.10621
-0.00045
0.00000
29
0.00862
-0.02538
0.00000
30
-0.00862
0.02538
0.00000
31
0.01759
0.03216
0.00000
32
-0.01759
-0.03216
0.00000
33
0.00596
-0.15838
0.00000
34
-0.00596
0.15838
0.00000