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)
-0.46600
Diff mu Y
(Debye)
0.55500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02137
0.01253
0.00000
2
-0.02137
0.01253
0.00000
3
0.02106
-0.03716
0.00000
4
0.02920
0.00889
0.00000
5
0.02920
0.00889
0.00000
6
0.02106
-0.03716
0.00000
7
-0.01059
0.00337
0.00000
8
-0.01272
0.03248
0.00000
9
-0.01272
0.03248
0.00000
10
-0.01059
0.00337
0.00000
11
0.00325
0.03420
0.00000
12
0.02693
-0.06263
0.00000
13
0.02693
-0.06263
0.00000
14
0.00325
0.03420
0.00000
15
-0.05830
-0.01150
0.00000
16
-0.05830
-0.01150
0.00000
17
0.01681
0.02439
0.00000
18
0.01681
0.02439
0.00000
19
0.02948
-0.02693
0.00000
20
0.02948
-0.02693
0.00000
21
-0.01098
-0.00400
0.00000
22
-0.01098
-0.00400
0.00000
23
0.20552
0.21487
0.00000
24
0.20552
0.21487
0.00000
25
-0.14601
-0.11439
0.00000
26
-0.14601
-0.11439
0.00000
27
-0.17016
0.04109
0.00000
28
-0.17016
0.04109
0.00000
29
-0.04128
0.29993
0.00000
30
-0.04128
0.29993
0.00000
31
0.03004
-0.20950
0.00000
32
0.03004
-0.20950
0.00000
33
-0.03041
0.08194
0.00000
34
-0.03041
0.08194
0.00000