Charge: 0
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
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)
0.20400
Diff mu Y
(Debye)
-0.17100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06402
-0.00396
0.00000
2
0.07056
0.01690
0.00000
3
0.05419
-0.00641
0.00000
4
-0.06503
-0.06650
0.00000
5
0.03707
0.02592
0.00000
6
-0.02566
-0.03813
0.00000
7
-0.03752
0.03546
0.00000
8
0.03154
0.00045
0.00000
9
-0.01744
0.07037
0.00000
10
0.03080
-0.06970
0.00000
11
-0.01987
0.00709
0.00000
12
0.05712
0.10859
0.00000
13
-0.02949
-0.06847
0.00000
14
-0.01146
0.05056
0.00000
15
0.02945
0.03180
0.00000
16
-0.05093
-0.05770
0.00000
17
0.00244
-0.02791
0.00000
18
-0.00407
0.02519
0.00000
19
-0.01933
-0.01676
0.00000
20
0.01062
0.00751
0.00000
21
0.05764
-0.07142
0.00000
22
0.02332
-0.03721
0.00000
23
-0.06594
-0.05143
0.00000
24
-0.06351
0.01999
0.00000
25
-0.04615
-0.21032
0.00000
26
0.03597
0.12801
0.00000
27
0.08981
-0.06093
0.00000
28
0.08547
-0.03807
0.00000
29
0.05249
-0.00142
0.00000
30
0.04273
-0.01917
0.00000
31
0.02618
0.05101
0.00000
32
0.01230
0.00176
0.00000