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)
0.51000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00308
2
0.00000
0.00000
-0.00060
3
0.00000
0.00000
-0.00072
4
0.00000
0.00000
-0.03400
5
0.00000
0.00000
0.03798
6
0.00000
0.00000
0.04994
7
0.00000
0.00000
0.01899
8
0.00000
0.00000
0.00759
9
0.00000
0.00000
-0.03039
10
0.00000
0.00000
-0.02984
11
0.00000
0.00000
-0.00773
12
0.00000
0.00000
0.08117
13
0.00000
0.00000
-0.06513
14
0.00000
0.00000
-0.09493
15
0.00000
0.00000
0.03124
16
0.00000
0.00000
-0.00016
17
0.00000
0.00000
0.01465
18
0.00000
0.00000
0.00075
19
0.00000
0.00000
-0.01753
20
0.00000
0.00000
-0.01062
21
0.00000
0.00000
-0.13637
22
0.00000
0.00000
0.01194
23
0.00000
0.00000
0.15791
24
0.00000
0.00000
0.12556
25
0.00000
0.00000
-0.45377
26
0.00000
0.00000
0.32548
27
0.00000
0.00000
0.50496
28
0.00000
0.00000
0.02379
29
0.00000
0.00000
0.12319
30
0.00000
0.00000
-0.00391
31
0.00000
0.00000
-0.07849
32
0.00000
0.00000
0.02386