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)
0.29500
Eigenvectors
#
X
Y
Z
1
0.00012
0.00000
-0.00006
2
-0.00012
0.00000
-0.00006
3
-0.00003
0.00000
-0.00001
4
-0.00022
0.00000
0.00001
5
0.00003
0.00000
-0.00001
6
0.00022
0.00000
0.00001
7
0.00004
0.00000
-0.00005
8
0.00631
0.00000
0.01651
9
-0.00004
0.00000
-0.00005
10
-0.00631
0.00000
0.01651
11
0.00001
0.00000
-0.00008
12
0.02777
0.00000
-0.04765
13
-0.00001
0.00000
-0.00008
14
-0.02777
0.00000
-0.04764
15
-0.00048
0.00000
0.00003
16
0.01353
0.00000
0.00205
17
0.00048
0.00000
0.00003
18
-0.01353
0.00000
0.00205
19
-0.00006
0.00000
0.00016
20
0.00006
0.00000
0.00016
21
0.00028
0.00000
0.00080
22
-0.00028
0.00000
0.00080
23
0.00536
0.00000
-0.00038
24
-0.14466
0.00000
-0.00429
25
-0.00535
0.00000
-0.00038
26
0.14466
0.00000
-0.00429
27
-0.00034
0.00000
0.00043
28
-0.31995
0.00000
0.53307
29
0.00036
0.00000
0.00047
30
0.31995
0.00000
0.53306
31
-0.10048
0.00000
-0.19064
32
0.10048
0.00000
-0.19065
33
0.00091
0.00000
-0.00150
34
-0.00091
0.00000
-0.00149