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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 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)
1.14700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00245
2
0.00000
0.00000
-0.03996
3
0.00000
0.00000
0.05685
4
0.00000
0.00000
0.08100
5
0.00000
0.00000
0.00746
6
0.00000
0.00000
0.07787
7
0.00000
0.00000
-0.06635
8
0.00000
0.00000
-0.05939
9
0.00000
0.00000
-0.03718
10
0.00000
0.00000
-0.04136
11
0.00000
0.00000
-0.04267
12
0.00000
0.00000
-0.04162
13
0.00000
0.00000
0.02459
14
0.00000
0.00000
-0.05157
15
0.00000
0.00000
-0.00087
16
0.00000
0.00000
-0.02044
17
0.00000
0.00000
0.01666
18
0.00000
0.00000
0.00179
19
0.00000
0.00000
0.00611
20
0.00000
0.00000
-0.00169
21
0.00000
0.00000
0.40647
22
0.00000
0.00000
0.31239
23
0.00000
0.00000
0.30461
24
0.00000
0.00000
0.16810
25
0.00000
0.00000
0.10816
26
0.00000
0.00000
-0.17476
27
0.00000
0.00000
0.16758
28
0.00000
0.00000
0.32330
29
0.00000
0.00000
-0.02760
30
0.00000
0.00000
-0.05130
31
0.00000
0.00000
-0.01744
32
0.00000
0.00000
0.00820