Charge: 1
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+1
Electronic States
Energy
(eV)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
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)
0.21300
Eigenvectors
#
X
Y
Z
1
-0.00001
0.00000
0.00002
2
0.00001
0.00000
0.00002
3
-0.00008
0.00000
0.00056
4
0.00004
0.00000
-0.00004
5
0.00008
0.00000
0.00056
6
-0.00004
0.00000
-0.00004
7
0.00076
0.00000
0.00147
8
-0.00005
0.00000
0.00003
9
-0.00076
0.00000
0.00147
10
0.00004
0.00000
0.00003
11
0.00701
0.00000
-0.01263
12
0.00014
0.00000
-0.00018
13
-0.00701
0.00000
-0.01263
14
-0.00014
0.00000
-0.00019
15
0.00493
0.00000
0.00051
16
-0.00014
0.00000
0.00001
17
-0.00493
0.00000
0.00051
18
0.00014
0.00000
0.00001
19
0.03359
0.00000
-0.04874
20
-0.03359
0.00000
-0.04874
21
-0.00010
0.00000
0.00028
22
0.00010
0.00000
0.00028
23
-0.05454
0.00000
-0.00029
24
0.00169
0.00000
-0.00012
25
0.05454
0.00000
-0.00029
26
-0.00166
0.00000
-0.00012
27
-0.08328
0.00000
0.13923
28
-0.00131
0.00000
0.00214
29
0.08328
0.00000
0.13924
30
0.00135
0.00000
0.00220
31
0.00004
0.00000
0.00004
32
0.00000
0.00000
-0.00003
33
-0.33263
0.00000
0.55824
34
0.33263
0.00000
0.55824