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)
-844.57197
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
0.01486
0.01774
0.00000
2
-0.01486
-0.01774
0.00000
3
0.01497
0.04637
0.00000
4
-0.02271
0.00504
0.00000
5
0.02271
-0.00504
0.00000
6
-0.01497
-0.04637
0.00000
7
0.01123
0.06291
0.00000
8
-0.01374
0.02383
0.00000
9
0.01374
-0.02383
0.00000
10
-0.01123
-0.06291
0.00000
11
0.02134
0.06041
0.00000
12
-0.04058
-0.01760
0.00000
13
0.04058
0.01760
0.00000
14
-0.02134
-0.06041
0.00000
15
0.03030
0.02572
0.00000
16
-0.03030
-0.02572
0.00000
17
-0.00464
0.07955
0.00000
18
0.00464
-0.07955
0.00000
19
-0.00611
0.09762
0.00000
20
0.00611
-0.09762
0.00000
21
-0.00253
0.08730
0.00000
22
0.00253
-0.08730
0.00000
23
0.00971
0.00954
0.00000
24
-0.00971
-0.00954
0.00000
25
-0.02205
0.06541
0.00000
26
0.02205
-0.06541
0.00000
27
-0.00615
0.09892
0.00000
28
0.00615
-0.09892
0.00000
29
0.03782
0.02864
0.00000
30
-0.03782
-0.02864
0.00000
31
0.00779
0.00060
0.00000
32
-0.00779
-0.00060
0.00000
33
-0.00294
0.09477
0.00000
34
0.00294
-0.09477
0.00000