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)
-0.07500
Diff mu Y
(Debye)
0.82400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00009
-0.00018
0.00000
2
-0.00003
-0.00015
0.00000
3
0.00048
-0.00004
0.00000
4
-0.00034
-0.00004
0.00000
5
-0.00037
-0.00042
0.00000
6
-0.00005
0.00031
0.00000
7
-0.00811
-0.00638
0.00000
8
0.01593
-0.00538
0.00000
9
0.02480
-0.00868
0.00000
10
-0.00899
-0.00744
0.00000
11
-0.00079
-0.00089
0.00000
12
0.01272
-0.00478
0.00000
13
0.00482
-0.00115
0.00000
14
-0.01316
-0.01217
0.00000
15
-0.00012
-0.00101
0.00000
16
-0.00397
0.02013
0.00000
17
0.03104
-0.00609
0.00000
18
-0.03573
-0.03353
0.00000
19
-0.00021
0.01362
0.00000
20
-0.03061
0.00749
0.00000
21
0.09232
0.07742
0.00000
22
-0.18747
0.06162
0.00000
23
-0.28960
0.09763
0.00000
24
0.10801
0.09487
0.00000
25
-0.15391
0.05387
0.00000
26
-0.05621
0.02005
0.00000
27
0.15932
0.14152
0.00000
28
0.04665
-0.23355
0.00000
29
0.03071
-0.14635
0.00000
30
0.41443
0.39350
0.00000
31
-0.35739
0.09191
0.00000
32
0.34317
-0.09565
0.00000