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)
0.14700
Eigenvectors
#
X
Y
Z
1
0.00005
0.00000
0.00049
2
-0.00005
0.00000
0.00049
3
0.00013
0.00000
-0.00002
4
-0.00091
0.00000
0.00089
5
-0.00013
0.00000
-0.00002
6
0.00091
0.00000
0.00089
7
-0.00013
0.00000
0.00005
8
-0.02700
0.00000
-0.04872
9
0.00013
0.00000
0.00005
10
0.02700
0.00000
-0.04872
11
0.00010
0.00000
0.00016
12
0.01198
0.00000
-0.01605
13
-0.00010
0.00000
0.00016
14
-0.01198
0.00000
-0.01605
15
0.00007
0.00000
-0.00020
16
0.00346
0.00000
0.00084
17
-0.00007
0.00000
-0.00020
18
-0.00346
0.00000
0.00084
19
0.00002
0.00000
0.00005
20
-0.00002
0.00000
0.00005
21
0.00001
0.00000
0.00042
22
-0.00001
0.00000
0.00042
23
-0.00037
0.00000
-0.00011
24
-0.03269
0.00000
-0.00159
25
0.00037
0.00000
-0.00011
26
0.03268
0.00000
-0.00159
27
0.00049
0.00000
-0.00084
28
-0.10995
0.00000
0.17974
29
-0.00049
0.00000
-0.00084
30
0.10995
0.00000
0.17974
31
0.30392
0.00000
0.56249
32
-0.30392
0.00000
0.56249
33
0.00025
0.00000
-0.00050
34
-0.00025
0.00000
-0.00050