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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.04600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00122
2
0.00000
0.00000
-0.00216
3
0.00000
0.00000
0.05373
4
0.00000
0.00000
-0.06545
5
0.00000
0.00000
-0.05527
6
0.00000
0.00000
0.06256
7
0.00000
0.00000
0.09044
8
0.00000
0.00000
-0.00823
9
0.00000
0.00000
-0.09274
10
0.00000
0.00000
0.00890
11
0.00000
0.00000
0.03839
12
0.00000
0.00000
-0.12112
13
0.00000
0.00000
-0.03276
14
0.00000
0.00000
0.12130
15
0.00000
0.00000
0.02842
16
0.00000
0.00000
0.00185
17
0.00000
0.00000
-0.01749
18
0.00000
0.00000
-0.04858
19
0.00000
0.00000
0.00454
20
0.00000
0.00000
0.04410
21
0.00000
0.00000
0.18059
22
0.00000
0.00000
-0.00952
23
0.00000
0.00000
-0.16797
24
0.00000
0.00000
0.01855
25
0.00000
0.00000
-0.21596
26
0.00000
0.00000
-0.06317
27
0.00000
0.00000
0.21430
28
0.00000
0.00000
0.00276
29
0.00000
0.00000
0.00153
30
0.00000
0.00000
-0.10887
31
0.00000
0.00000
-0.05694
32
0.00000
0.00000
0.06593