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)
1.01300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01308
2
0.00000
0.00000
-0.06803
3
0.00000
0.00000
0.04473
4
0.00000
0.00000
0.10466
5
0.00000
0.00000
-0.00634
6
0.00000
0.00000
0.09330
7
0.00000
0.00000
-0.05295
8
0.00000
0.00000
-0.05636
9
0.00000
0.00000
-0.01810
10
0.00000
0.00000
-0.04150
11
0.00000
0.00000
-0.04619
12
0.00000
0.00000
-0.05399
13
0.00000
0.00000
0.02672
14
0.00000
0.00000
-0.05437
15
0.00000
0.00000
0.00736
16
0.00000
0.00000
-0.02167
17
0.00000
0.00000
0.02900
18
0.00000
0.00000
0.00605
19
0.00000
0.00000
0.00053
20
0.00000
0.00000
-0.01354
21
0.00000
0.00000
0.34573
22
0.00000
0.00000
0.22574
23
0.00000
0.00000
0.23615
24
0.00000
0.00000
0.09127
25
0.00000
0.00000
0.14028
26
0.00000
0.00000
-0.19006
27
0.00000
0.00000
0.17110
28
0.00000
0.00000
0.34669
29
0.00000
0.00000
0.01626
30
0.00000
0.00000
-0.08757
31
0.00000
0.00000
-0.07977
32
0.00000
0.00000
0.06528