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)
-0.10300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00998
2
0.00000
0.00000
-0.00989
3
0.00000
0.00000
0.05202
4
0.00000
0.00000
-0.06591
5
0.00000
0.00000
-0.06155
6
0.00000
0.00000
0.05346
7
0.00000
0.00000
0.09333
8
0.00000
0.00000
-0.01264
9
0.00000
0.00000
-0.08391
10
0.00000
0.00000
0.01400
11
0.00000
0.00000
0.04842
12
0.00000
0.00000
-0.11845
13
0.00000
0.00000
-0.03723
14
0.00000
0.00000
0.12104
15
0.00000
0.00000
0.04034
16
0.00000
0.00000
0.00447
17
0.00000
0.00000
-0.00692
18
0.00000
0.00000
-0.04552
19
0.00000
0.00000
-0.00608
20
0.00000
0.00000
0.04014
21
0.00000
0.00000
0.18136
22
0.00000
0.00000
-0.03560
23
0.00000
0.00000
-0.14278
24
0.00000
0.00000
0.04856
25
0.00000
0.00000
-0.22224
26
0.00000
0.00000
-0.07984
27
0.00000
0.00000
0.23585
28
0.00000
0.00000
0.01214
29
0.00000
0.00000
-0.02137
30
0.00000
0.00000
-0.10358
31
0.00000
0.00000
-0.03981
32
0.00000
0.00000
0.05847