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)
0.02000
Diff mu Y
(Debye)
-0.29500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02293
-0.00920
0.00000
2
-0.02928
-0.01246
0.00000
3
-0.03396
0.05832
0.00000
4
0.02737
0.03639
0.00000
5
-0.01362
0.03367
0.00000
6
0.03239
-0.01870
0.00000
7
0.03414
0.01008
0.00000
8
-0.02954
-0.07717
0.00000
9
-0.00017
0.01000
0.00000
10
-0.00508
-0.01131
0.00000
11
-0.02035
-0.07262
0.00000
12
0.01642
0.01527
0.00000
13
0.00224
-0.03162
0.00000
14
-0.02653
0.04342
0.00000
15
0.01027
-0.01658
0.00000
16
-0.01785
-0.02912
0.00000
17
0.05691
0.02556
0.00000
18
-0.10124
0.06552
0.00000
19
0.07905
-0.03004
0.00000
20
-0.01401
0.05149
0.00000
21
-0.09401
0.16216
0.00000
22
0.05247
0.17001
0.00000
23
-0.00378
0.00795
0.00000
24
-0.01819
0.00067
0.00000
25
0.00615
-0.02868
0.00000
26
0.02468
0.03377
0.00000
27
0.10749
-0.10213
0.00000
28
0.07757
-0.01387
0.00000
29
-0.10854
-0.08322
0.00000
30
0.16303
-0.21425
0.00000
31
-0.01683
-0.26532
0.00000
32
-0.07224
-0.15384
0.00000