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)
-0.19400
Diff mu Y
(Debye)
0.87400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00329
-0.05357
0.00000
2
0.00538
-0.06806
0.00000
3
0.04800
-0.01012
0.00000
4
-0.03079
-0.03326
0.00000
5
-0.04601
-0.01431
0.00000
6
0.03707
-0.01834
0.00000
7
0.08099
0.04623
0.00000
8
-0.11857
0.01637
0.00000
9
-0.07038
0.00820
0.00000
10
0.10794
0.05556
0.00000
11
0.01328
-0.00596
0.00000
12
0.05529
-0.00186
0.00000
13
-0.01840
-0.00261
0.00000
14
-0.04845
-0.01052
0.00000
15
-0.01030
0.00025
0.00000
16
-0.01810
0.07940
0.00000
17
0.02397
0.00007
0.00000
18
0.00528
0.00219
0.00000
19
-0.00267
0.00780
0.00000
20
-0.02186
0.01557
0.00000
21
0.15648
-0.04530
0.00000
22
-0.14988
-0.07810
0.00000
23
-0.11085
-0.11535
0.00000
24
0.16466
-0.00848
0.00000
25
0.04721
-0.03006
0.00000
26
-0.01296
0.01027
0.00000
27
-0.03271
-0.03055
0.00000
28
-0.02291
0.07905
0.00000
29
0.01956
0.01504
0.00000
30
-0.00502
0.01519
0.00000
31
0.02644
0.00828
0.00000
32
-0.02007
0.02486
0.00000