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)
-0.31700
Diff mu Y
(Debye)
0.07800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00002
-0.00018
0.00000
2
0.00002
-0.00018
0.00000
3
0.00010
0.00010
0.00000
4
-0.00011
-0.00036
0.00000
5
-0.00011
-0.00036
0.00000
6
0.00010
0.00010
0.00000
7
0.00008
0.00154
0.00000
8
0.01168
0.00181
0.00000
9
0.01168
0.00181
0.00000
10
0.00008
0.00154
0.00000
11
0.00140
0.00128
0.00000
12
0.01239
0.00142
0.00000
13
0.01239
0.00142
0.00000
14
0.00140
0.00128
0.00000
15
-0.01709
0.02021
0.00000
16
-0.01709
0.02021
0.00000
17
0.01945
-0.02360
0.00000
18
0.01945
-0.02360
0.00000
19
0.00673
0.01880
0.00000
20
0.00673
0.01880
0.00000
21
-0.03154
-0.00646
0.00000
22
-0.03154
-0.00646
0.00000
23
0.19482
-0.23199
0.00000
24
0.19482
-0.23199
0.00000
25
-0.22852
0.26889
0.00000
26
-0.22852
0.26889
0.00000
27
-0.08125
-0.23024
0.00000
28
-0.08125
-0.23024
0.00000
29
-0.15149
-0.02664
0.00000
30
-0.15149
-0.02664
0.00000
31
-0.13502
-0.02279
0.00000
32
-0.13502
-0.02279
0.00000
33
0.36444
0.06944
0.00000
34
0.36444
0.06944
0.00000