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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
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)
0.76400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.01161
2
0.00000
0.00000
0.00122
3
0.00000
0.00000
0.02258
4
0.00000
0.00000
0.02356
5
0.00000
0.00000
0.05806
6
0.00000
0.00000
-0.01581
7
0.00000
0.00000
-0.01706
8
0.00000
0.00000
-0.00702
9
0.00000
0.00000
-0.01081
10
0.00000
0.00000
-0.01615
11
0.00000
0.00000
-0.03484
12
0.00000
0.00000
-0.05047
13
0.00000
0.00000
-0.11447
14
0.00000
0.00000
0.05111
15
0.00000
0.00000
0.06950
16
0.00000
0.00000
-0.00433
17
0.00000
0.00000
0.03862
18
0.00000
0.00000
-0.00295
19
0.00000
0.00000
-0.03053
20
0.00000
0.00000
-0.02801
21
0.00000
0.00000
0.08094
22
0.00000
0.00000
0.02096
23
0.00000
0.00000
-0.05296
24
0.00000
0.00000
0.18249
25
0.00000
0.00000
0.27553
26
0.00000
0.00000
0.55538
27
0.00000
0.00000
-0.28625
28
0.00000
0.00000
0.02345
29
0.00000
0.00000
0.24058
30
0.00000
0.00000
-0.00514
31
0.00000
0.00000
-0.15982
32
0.00000
0.00000
0.07032