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)
0.01200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04953
2
0.00000
0.00000
0.01593
3
0.00000
0.00000
-0.00548
4
0.00000
0.00000
-0.02704
5
0.00000
0.00000
0.10080
6
0.00000
0.00000
-0.01185
7
0.00000
0.00000
0.03217
8
0.00000
0.00000
0.01481
9
0.00000
0.00000
0.00907
10
0.00000
0.00000
-0.10116
11
0.00000
0.00000
-0.08104
12
0.00000
0.00000
-0.06432
13
0.00000
0.00000
0.07916
14
0.00000
0.00000
0.05618
15
0.00000
0.00000
-0.05875
16
0.00000
0.00000
0.03072
17
0.00000
0.00000
-0.06489
18
0.00000
0.00000
0.07304
19
0.00000
0.00000
0.03886
20
0.00000
0.00000
-0.08950
21
0.00000
0.00000
0.06731
22
0.00000
0.00000
0.03657
23
0.00000
0.00000
-0.03487
24
0.00000
0.00000
-0.23076
25
0.00000
0.00000
-0.12413
26
0.00000
0.00000
0.12135
27
0.00000
0.00000
0.09888
28
0.00000
0.00000
0.06258
29
0.00000
0.00000
0.10177
30
0.00000
0.00000
0.17391
31
0.00000
0.00000
-0.09430
32
0.00000
0.00000
-0.13372