Charge: -1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q-1
Electronic States
Energy
(eV)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.10000
Diff mu Y
(Debye)
-0.07200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00009
0.00001
0.00000
2
0.00023
-0.00063
0.00000
3
0.00009
0.00009
0.00000
4
-0.00030
-0.00314
0.00000
5
0.00007
0.00001
0.00000
6
0.00036
-0.00044
0.00000
7
-0.00333
-0.00171
0.00000
8
0.02065
-0.00656
0.00000
9
0.00089
-0.00037
0.00000
10
-0.00172
-0.00115
0.00000
11
-0.00006
-0.00005
0.00000
12
-0.07384
0.02559
0.00000
13
0.00010
-0.00002
0.00000
14
0.00998
0.00912
0.00000
15
0.00000
-0.00001
0.00000
16
0.00556
-0.01498
0.00000
17
0.00116
-0.00028
0.00000
18
-0.00040
-0.00028
0.00000
19
0.00004
0.00005
0.00000
20
-0.00001
-0.00001
0.00000
21
0.03675
0.02969
0.00000
22
-0.23176
0.07875
0.00000
23
-0.01078
0.00357
0.00000
24
0.01712
0.01532
0.00000
25
0.83730
-0.28828
0.00000
26
-0.00119
0.00041
0.00000
27
-0.11403
-0.09933
0.00000
28
-0.04115
0.19128
0.00000
29
0.00011
-0.00046
0.00000
30
0.00417
0.00390
0.00000
31
-0.01282
0.00296
0.00000
32
0.00001
0.00001
0.00000