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)
-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)
1.19000
Diff mu Y
(Debye)
0.53200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00750
0.01849
0.00000
2
-0.00750
0.01849
0.00000
3
-0.07039
-0.01095
0.00000
4
0.03733
-0.04611
0.00000
5
0.03733
-0.04611
0.00000
6
-0.07039
-0.01095
0.00000
7
0.08999
-0.05226
0.00000
8
-0.04059
0.07673
0.00000
9
-0.04059
0.07673
0.00000
10
0.08999
-0.05226
0.00000
11
0.03514
0.01528
0.00000
12
-0.00597
0.04824
0.00000
13
-0.00597
0.04824
0.00000
14
0.03514
0.01528
0.00000
15
-0.01535
-0.03666
0.00000
16
-0.01535
-0.03666
0.00000
17
-0.03061
-0.01905
0.00000
18
-0.03061
-0.01905
0.00000
19
0.02244
-0.00566
0.00000
20
0.02244
-0.00566
0.00000
21
-0.02489
0.03566
0.00000
22
-0.02489
0.03566
0.00000
23
0.04333
0.01256
0.00000
24
0.04333
0.01256
0.00000
25
0.07082
0.06915
0.00000
26
0.07082
0.06915
0.00000
27
-0.00947
0.00474
0.00000
28
-0.00947
0.00474
0.00000
29
0.01464
-0.07104
0.00000
30
0.01464
-0.07104
0.00000
31
-0.00425
-0.15179
0.00000
32
-0.00425
-0.15179
0.00000
33
0.00878
-0.14582
0.00000
34
0.00878
-0.14582
0.00000