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)
-0.03700
Diff mu Y
(Debye)
0.10900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00987
0.04167
0.00000
2
-0.03013
-0.03655
0.00000
3
-0.00594
0.03135
0.00000
4
-0.02883
-0.00788
0.00000
5
0.04618
0.03716
0.00000
6
0.09742
-0.08607
0.00000
7
-0.00142
-0.01523
0.00000
8
0.01657
0.00403
0.00000
9
-0.04789
0.00078
0.00000
10
-0.02437
-0.01197
0.00000
11
-0.05530
-0.05389
0.00000
12
0.01725
0.00942
0.00000
13
0.03594
0.01048
0.00000
14
0.03419
0.00834
0.00000
15
-0.03840
-0.07034
0.00000
16
-0.01806
0.03304
0.00000
17
0.02991
0.02267
0.00000
18
0.01277
-0.00876
0.00000
19
-0.00943
0.01550
0.00000
20
-0.00248
0.00498
0.00000
21
-0.02649
0.01376
0.00000
22
0.02917
0.04041
0.00000
23
-0.08591
-0.09409
0.00000
24
-0.23914
0.20982
0.00000
25
-0.01417
-0.08085
0.00000
26
0.06424
0.07814
0.00000
27
-0.27563
0.36521
0.00000
28
-0.07800
0.02518
0.00000
29
0.12732
0.05050
0.00000
30
-0.02739
0.03597
0.00000
31
0.07392
0.17366
0.00000
32
0.00154
0.03101
0.00000