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)
0.02600
Diff mu Y
(Debye)
-0.34100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01205
-0.06623
0.00000
2
0.00478
-0.07744
0.00000
3
0.04572
-0.01959
0.00000
4
-0.02955
-0.03147
0.00000
5
-0.04238
-0.01175
0.00000
6
0.02531
-0.01045
0.00000
7
0.08267
0.05888
0.00000
8
-0.12132
0.02456
0.00000
9
-0.06613
0.01019
0.00000
10
0.10159
0.05418
0.00000
11
0.01853
-0.01615
0.00000
12
0.05144
-0.00639
0.00000
13
-0.03356
-0.00109
0.00000
14
-0.03708
-0.00179
0.00000
15
-0.01081
-0.00210
0.00000
16
-0.01664
0.06776
0.00000
17
0.03433
0.00324
0.00000
18
0.00043
0.00110
0.00000
19
-0.00493
0.01293
0.00000
20
-0.01702
0.01904
0.00000
21
0.15270
-0.02262
0.00000
22
-0.15257
-0.06824
-0.00001
23
-0.10493
-0.10770
0.00000
24
0.15691
-0.00429
0.00000
25
0.04168
-0.03179
0.00000
26
-0.03253
0.00802
0.00000
27
-0.02028
-0.01801
0.00000
28
-0.04113
0.06334
0.00000
29
0.01768
0.01937
0.00000
30
-0.01354
0.01719
0.00000
31
0.04264
0.02942
0.00000
32
-0.01623
0.02672
0.00001