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)
-0.09100
Diff mu Y
(Debye)
0.11700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00811
0.00016
0.00000
2
-0.00200
-0.00985
0.00000
3
0.00021
0.02083
0.00000
4
-0.00816
-0.03402
0.00000
5
-0.00041
-0.00825
0.00000
6
-0.02375
0.02199
0.00000
7
-0.00291
0.01799
0.00000
8
0.01195
-0.01616
0.00000
9
0.00575
-0.01273
0.00000
10
0.00707
0.01212
0.00000
11
0.03085
-0.00488
0.00000
12
-0.01819
-0.00806
0.00000
13
0.00608
0.00904
0.00000
14
-0.01598
0.00931
0.00000
15
-0.02018
0.00404
0.00000
16
0.03250
0.00624
0.00000
17
-0.00865
0.01382
0.00000
18
0.02085
-0.03140
0.00000
19
-0.03140
-0.01533
0.00000
20
0.00463
0.01176
0.00000
21
-0.11559
0.15040
0.00000
22
-0.01186
-0.09580
0.00000
23
-0.03418
-0.13673
0.00000
24
-0.02953
0.05466
0.00000
25
-0.05193
-0.10497
0.00000
26
0.01263
0.02801
0.00000
27
-0.08858
0.08846
0.00000
28
0.33645
0.06852
0.00000
29
-0.45910
-0.11895
0.00000
30
0.33585
-0.35984
0.00000
31
0.06422
0.28648
0.00000
32
0.08487
0.29921
0.00000