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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.25100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07822
2
0.00000
0.00000
-0.10573
3
0.00000
0.00000
0.05290
4
0.00000
0.00000
-0.05379
5
0.00000
0.00000
0.04422
6
0.00000
0.00000
-0.01385
7
0.00000
0.00000
-0.05798
8
0.00000
0.00000
0.06161
9
0.00000
0.00000
-0.09869
10
0.00000
0.00000
0.07973
11
0.00000
0.00000
0.00432
12
0.00000
0.00000
0.01912
13
0.00000
0.00000
0.04409
14
0.00000
0.00000
0.00317
15
0.00000
0.00000
-0.06023
16
0.00000
0.00000
-0.02024
17
0.00000
0.00000
0.01843
18
0.00000
0.00000
-0.04917
19
0.00000
0.00000
0.05687
20
0.00000
0.00000
-0.02804
21
0.00000
0.00000
-0.18442
22
0.00000
0.00000
0.18943
23
0.00000
0.00000
-0.25599
24
0.00000
0.00000
0.22233
25
0.00000
0.00000
0.12399
26
0.00000
0.00000
0.10306
27
0.00000
0.00000
0.05005
28
0.00000
0.00000
-0.00059
29
0.00000
0.00000
0.13107
30
0.00000
0.00000
-0.12842
31
0.00000
0.00000
0.09901
32
0.00000
0.00000
-0.05122