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)
0.70000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00582
0.00000
0.12621
2
0.00582
0.00000
-0.12621
3
-0.02501
0.00000
-0.07299
4
0.01417
0.00000
0.10321
5
-0.02501
0.00000
0.07299
6
0.01417
0.00000
-0.10321
7
0.01152
0.00000
0.00091
8
-0.00981
0.00000
-0.03388
9
0.01153
0.00000
-0.00091
10
-0.00982
0.00000
0.03388
11
-0.00221
0.00000
0.00250
12
0.03188
0.00000
0.03571
13
-0.00222
0.00000
-0.00250
14
0.03188
0.00000
-0.03571
15
0.00159
0.00000
-0.00207
16
-0.01423
0.00000
-0.03997
17
0.00159
0.00000
0.00207
18
-0.01423
0.00000
0.03997
19
-0.00041
0.00000
0.00704
20
-0.00041
0.00000
-0.00704
21
-0.00289
0.00000
-0.03670
22
-0.00289
0.00000
0.03670
23
0.00070
0.00000
-0.01925
24
-0.01846
0.00000
0.08352
25
0.00070
0.00000
0.01925
26
-0.01846
0.00000
-0.08352
27
0.00836
0.00000
0.00922
28
-0.10902
0.00000
-0.04722
29
0.00837
0.00000
-0.00922
30
-0.10903
0.00000
0.04723
31
-0.00424
0.00000
-0.04281
32
-0.00424
0.00000
0.04281
33
-0.00131
0.00000
0.00696
34
-0.00131
0.00000
-0.00696