Charge: 2
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+2
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
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)
-0.95500
Eigenvectors
#
X
Y
Z
1
-0.00003
0.00000
0.00055
2
0.00003
0.00000
0.00055
3
0.00004
0.00000
-0.00001
4
-0.00133
0.00000
0.00081
5
-0.00004
0.00000
-0.00001
6
0.00133
0.00000
0.00081
7
-0.00002
0.00000
-0.00005
8
-0.02580
0.00000
-0.04882
9
0.00002
0.00000
-0.00005
10
0.02580
0.00000
-0.04882
11
-0.00024
0.00000
0.00046
12
0.01063
0.00000
-0.01571
13
0.00024
0.00000
0.00046
14
-0.01063
0.00000
-0.01571
15
-0.00074
0.00000
-0.00001
16
0.00612
0.00000
0.00118
17
0.00074
0.00000
-0.00001
18
-0.00612
0.00000
0.00118
19
-0.00014
0.00000
0.00028
20
0.00014
0.00000
0.00028
21
0.00005
0.00000
0.00033
22
-0.00005
0.00000
0.00033
23
0.00851
0.00000
-0.00022
24
-0.06291
0.00000
-0.00248
25
-0.00850
0.00000
-0.00022
26
0.06291
0.00000
-0.00248
27
0.00284
0.00000
-0.00533
28
-0.10306
0.00000
0.17209
29
-0.00284
0.00000
-0.00533
30
0.10306
0.00000
0.17209
31
0.30176
0.00000
0.56537
32
-0.30176
0.00000
0.56537
33
0.00189
0.00000
-0.00331
34
-0.00189
0.00000
-0.00331