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)
-0.23000
Diff mu Y
(Debye)
0.12200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07364
0.01293
0.00000
2
0.03518
0.01796
0.00000
3
-0.02221
0.01489
0.00000
4
-0.03695
-0.05503
0.00000
5
-0.01512
-0.04015
0.00000
6
-0.04297
0.04457
0.00000
7
-0.00788
0.03480
0.00000
8
0.02937
-0.02225
0.00000
9
0.01296
-0.01006
0.00000
10
0.01372
0.01418
0.00000
11
-0.06248
-0.04801
0.00000
12
-0.01324
-0.00591
0.00000
13
0.00408
0.01262
0.00000
14
-0.01664
-0.01540
0.00000
15
0.00080
-0.07321
0.00000
16
0.01098
0.00734
0.00000
17
0.03220
-0.00454
0.00000
18
0.00844
0.00977
0.00000
19
-0.01251
0.00880
0.00000
20
-0.00229
0.03152
0.00000
21
-0.20352
0.25948
0.00000
22
-0.02636
-0.20708
0.00000
23
-0.00398
-0.07316
0.00000
24
0.00951
0.02458
0.00000
25
0.02518
0.11726
0.00000
26
0.14160
0.43819
0.00000
27
0.11077
-0.16127
0.00000
28
0.11043
0.02756
0.00000
29
0.12134
0.04305
0.00000
30
-0.19799
0.22792
0.00000
31
0.02502
-0.03700
0.00000
32
0.01790
0.11674
0.00000