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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.04100
Diff mu Y
(Debye)
0.03900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00869
-0.02521
0.00000
2
0.07904
-0.01466
0.00000
3
0.00289
0.05454
0.00000
4
-0.08822
0.00445
0.00000
5
-0.05625
-0.03394
0.00000
6
-0.03283
0.04137
0.00000
7
0.04185
-0.04970
0.00000
8
-0.00498
0.00293
0.00000
9
0.04177
0.03205
0.00000
10
-0.01620
-0.00581
0.00000
11
0.02227
-0.02792
0.00000
12
0.01282
0.04080
0.00000
13
0.03875
0.05435
0.00000
14
0.01151
-0.05500
0.00000
15
-0.04779
-0.00803
0.00000
16
0.04766
0.00792
0.00000
17
0.00269
0.01914
0.00000
18
0.01069
-0.00371
0.00000
19
-0.03868
-0.00487
0.00000
20
0.02276
-0.00685
0.00000
21
-0.18727
0.22163
0.00000
22
0.05582
0.18779
0.00000
23
-0.00047
-0.09837
0.00000
24
0.05197
-0.08010
0.00000
25
-0.09640
-0.27565
0.00000
26
-0.03538
-0.17423
0.00000
27
-0.14383
0.11585
0.00000
28
-0.26114
-0.05445
0.00000
29
0.11348
0.03009
0.00000
30
0.02340
-0.01568
0.00000
31
-0.03323
-0.11234
0.00000
32
0.02451
-0.00463
0.00000