Charge: -1
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-1
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)
-1.71200
Diff mu Y
(Debye)
2.90200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01290
-0.04198
0.00000
2
-0.01290
-0.04198
0.00000
3
-0.01195
0.08557
0.00000
4
0.00620
0.01507
0.00000
5
0.00620
0.01507
0.00000
6
-0.01195
0.08557
0.00000
7
0.02297
-0.07978
0.00000
8
-0.01886
0.04498
0.00000
9
-0.01886
0.04498
0.00000
10
0.02296
-0.07978
0.00000
11
-0.00120
-0.06435
0.00000
12
-0.00645
-0.05936
0.00000
13
-0.00645
-0.05936
0.00000
14
-0.00120
-0.06435
0.00000
15
0.03154
0.05785
0.00000
16
0.03154
0.05785
0.00000
17
0.00641
0.02658
0.00000
18
0.00641
0.02658
0.00000
19
0.01847
-0.03112
0.00000
20
0.01847
-0.03112
0.00000
21
-0.01810
0.06578
0.00000
22
-0.01810
0.06578
0.00000
23
-0.10224
-0.05636
0.00000
24
-0.10224
-0.05636
0.00000
25
-0.04395
-0.01491
0.00000
26
-0.04394
-0.01491
0.00000
27
-0.03512
-0.01774
0.00000
28
-0.03511
-0.01775
0.00000
29
-0.03693
0.07155
0.00000
30
-0.03694
0.07156
0.00000
31
0.00433
-0.08806
0.00000
32
0.00433
-0.08806
0.00000
33
0.02200
-0.12354
0.00000
34
0.02200
-0.12354
0.00000