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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 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)
-0.06200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00279
2
0.00000
0.00000
-0.00124
3
0.00000
0.00000
-0.00292
4
0.00000
0.00000
-0.00076
5
0.00000
0.00000
-0.00578
6
0.00000
0.00000
0.00125
7
0.00000
0.00000
-0.01192
8
0.00000
0.00000
0.01071
9
0.00000
0.00000
0.00878
10
0.00000
0.00000
-0.00684
11
0.00000
0.00000
0.00222
12
0.00000
0.00000
0.00179
13
0.00000
0.00000
0.01237
14
0.00000
0.00000
-0.00083
15
0.00000
0.00000
-0.00812
16
0.00000
0.00000
-0.00051
17
0.00000
0.00000
-0.04866
18
0.00000
0.00000
0.08211
19
0.00000
0.00000
-0.09381
20
0.00000
0.00000
0.06485
21
0.00000
0.00000
0.08448
22
0.00000
0.00000
-0.06733
23
0.00000
0.00000
-0.04500
24
0.00000
0.00000
0.03720
25
0.00000
0.00000
-0.00807
26
0.00000
0.00000
-0.04700
27
0.00000
0.00000
0.00306
28
0.00000
0.00000
0.00279
29
0.00000
0.00000
0.52465
30
0.00000
0.00000
-0.45776
31
0.00000
0.00000
0.28159
32
0.00000
0.00000
-0.37359