Charge: -1
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q-1
Electronic States
Energy
(eV)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-1.75500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00037
-0.00006
2
0.00000
0.00037
0.00006
3
0.00000
0.00029
-0.00015
4
0.00000
0.00029
0.00015
5
0.00000
-0.00105
0.00085
6
0.00000
-0.00105
-0.00085
7
0.00000
0.00026
-0.00047
8
0.00000
0.00026
0.00047
9
0.00000
-0.00965
-0.01789
10
0.00000
-0.00965
0.01789
11
0.00000
0.00531
-0.00747
12
0.00000
0.00531
0.00747
13
0.00000
0.01284
0.02197
14
0.00000
0.01284
-0.02197
15
0.00000
-0.04487
-0.00049
16
0.00000
-0.04487
0.00049
17
0.00000
-0.00109
0.00031
18
0.00000
-0.00109
-0.00031
19
0.00000
-0.00039
0.00073
20
0.00000
-0.00039
-0.00073
21
0.00000
0.53410
0.00297
22
0.00000
0.53410
-0.00297
23
0.00000
-0.06546
0.10397
24
0.00000
-0.06546
-0.10397
25
0.00000
-0.15308
-0.27437
26
0.00000
-0.15308
0.27437
27
0.00000
0.12260
0.21014
28
0.00000
0.12260
-0.21014
29
0.00000
0.00944
-0.00028
30
0.00000
0.00944
0.00028
31
0.00000
0.00465
-0.00884
32
0.00000
0.00465
0.00884