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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 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)
1.30000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00377
2
0.00000
0.00000
-0.02696
3
0.00000
0.00000
0.04959
4
0.00000
0.00000
0.06527
5
0.00000
0.00000
0.01837
6
0.00000
0.00000
0.07229
7
0.00000
0.00000
-0.06413
8
0.00000
0.00000
-0.05246
9
0.00000
0.00000
-0.05533
10
0.00000
0.00000
-0.04696
11
0.00000
0.00000
-0.03408
12
0.00000
0.00000
-0.03792
13
0.00000
0.00000
0.01668
14
0.00000
0.00000
-0.04842
15
0.00000
0.00000
-0.00172
16
0.00000
0.00000
-0.01814
17
0.00000
0.00000
0.00671
18
0.00000
0.00000
0.00005
19
0.00000
0.00000
0.00423
20
0.00000
0.00000
0.00447
21
0.00000
0.00000
0.40242
22
0.00000
0.00000
0.29576
23
0.00000
0.00000
0.39278
24
0.00000
0.00000
0.26190
25
0.00000
0.00000
0.10133
26
0.00000
0.00000
-0.14781
27
0.00000
0.00000
0.13501
28
0.00000
0.00000
0.31805
29
0.00000
0.00000
-0.03109
30
0.00000
0.00000
-0.01698
31
0.00000
0.00000
0.02161
32
0.00000
0.00000
-0.01035