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)
-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)
-0.33200
Eigenvectors
#
X
Y
Z
1
0.00026
0.00000
0.00006
2
-0.00026
0.00000
0.00006
3
-0.00011
0.00000
0.00025
4
0.00004
0.00000
0.00000
5
0.00011
0.00000
0.00025
6
-0.00004
0.00000
0.00000
7
-0.00077
0.00000
-0.00064
8
0.00017
0.00000
0.00053
9
0.00077
0.00000
-0.00064
10
-0.00017
0.00000
0.00053
11
0.02002
0.00000
-0.03454
12
0.00236
0.00000
-0.00335
13
-0.02002
0.00000
-0.03454
14
-0.00236
0.00000
-0.00335
15
-0.03936
0.00000
0.00071
16
-0.00921
0.00000
-0.00017
17
0.03936
0.00000
0.00071
18
0.00921
0.00000
-0.00017
19
-0.00248
0.00000
0.00353
20
0.00248
0.00000
0.00353
21
-0.00019
0.00000
-0.00113
22
0.00019
0.00000
-0.00113
23
0.46642
0.00000
-0.00041
24
0.10608
0.00000
0.00320
25
-0.46644
0.00000
-0.00041
26
-0.10612
0.00000
0.00320
27
-0.23055
0.00000
0.41289
28
-0.02589
0.00000
0.04364
29
0.23057
0.00000
0.41292
30
0.02591
0.00000
0.04367
31
-0.00353
0.00000
-0.00658
32
0.00353
0.00000
-0.00659
33
0.02452
0.00000
-0.03886
34
-0.02456
0.00000
-0.03892