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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01562
-0.00931
0.00000
2
-0.01562
0.00931
0.00000
3
0.06081
-0.01991
0.00000
4
-0.01786
0.04793
0.00000
5
0.01786
-0.04793
0.00000
6
-0.06081
0.01991
0.00000
7
0.05897
0.03448
0.00000
8
0.03606
0.03097
0.00000
9
-0.03606
-0.03097
0.00000
10
-0.05897
-0.03448
0.00000
11
0.04925
-0.05498
0.00000
12
-0.03251
0.06131
0.00000
13
0.03251
-0.06131
0.00000
14
-0.04925
0.05498
0.00000
15
0.05601
-0.07364
0.00000
16
-0.05601
0.07364
0.00000
17
0.01030
-0.04371
0.00000
18
-0.01030
0.04371
0.00000
19
-0.00119
0.01947
0.00000
20
0.00119
-0.01947
0.00000
21
0.03536
0.05144
0.00000
22
-0.03536
-0.05144
0.00000
23
0.06073
-0.07080
0.00000
24
-0.06073
0.07080
0.00000
25
-0.02349
-0.07313
0.00000
26
0.02349
0.07313
0.00000
27
-0.04935
0.03593
0.00000
28
0.04935
-0.03593
0.00000
29
0.02993
-0.04558
0.00000
30
-0.02993
0.04558
0.00000
31
-0.04493
0.01741
0.00000
32
0.04493
-0.01741
0.00000
33
0.03038
0.07891
0.00000
34
-0.03038
-0.07891
0.00000