Charge: 2
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+2
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)
-0.05900
Diff mu Y
(Debye)
0.30800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00018
-0.00006
0.00000
2
-0.00007
-0.00003
0.00000
3
-0.00078
0.00030
0.00000
4
-0.00020
-0.00026
0.00000
5
-0.00005
0.00001
0.00000
6
0.00003
-0.00002
0.00000
7
0.01719
0.01424
0.00000
8
0.00460
-0.00220
0.00000
9
0.00006
-0.00004
0.00000
10
0.00000
0.00004
0.00000
11
0.00027
0.00051
0.00000
12
0.00002
-0.00007
0.00000
13
0.00011
-0.00011
0.00000
14
0.00007
0.00010
0.00000
15
0.00014
0.00115
0.00000
16
-0.00007
0.00058
0.00000
17
-0.00554
0.00246
0.00000
18
-0.02034
-0.01542
0.00000
19
0.01788
-0.07463
0.00000
20
0.01803
-0.00151
0.00000
21
-0.19513
-0.16174
0.00000
22
-0.04991
0.01721
0.00000
23
-0.00047
0.00019
0.00000
24
-0.00023
-0.00021
0.00000
25
-0.00050
0.00033
0.00000
26
-0.00206
0.00008
0.00000
27
-0.00098
-0.00082
0.00000
28
0.00130
-0.00623
0.00000
29
-0.19963
0.82891
0.00000
30
0.19826
0.18385
0.00000
31
0.05536
-0.01411
0.00000
32
-0.17701
0.04499
0.00000