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)
0.10300
Diff mu Y
(Debye)
-0.49400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00520
-0.01040
0.00000
2
0.01565
0.03325
0.00000
3
-0.00263
0.00162
0.00000
4
-0.02289
0.03995
0.00000
5
-0.00750
-0.06681
0.00000
6
0.04168
0.02651
0.00000
7
0.01507
-0.01007
0.00000
8
0.02736
-0.01396
0.00000
9
-0.11394
0.05607
0.00000
10
0.02254
0.07932
0.00000
11
-0.02027
0.01410
0.00000
12
-0.08226
0.04049
0.00000
13
0.08131
-0.09708
0.00000
14
0.03809
-0.04407
0.00000
15
-0.01226
0.00362
0.00000
16
0.02909
-0.09326
0.00000
17
-0.01287
0.00001
0.00000
18
0.01357
-0.00031
0.00000
19
0.01120
0.01297
0.00000
20
-0.02734
0.02899
0.00000
21
0.00961
-0.00242
0.00000
22
0.01652
-0.04849
0.00000
23
-0.10992
0.07519
0.00000
24
0.06746
0.02873
0.00000
25
-0.05584
0.12209
0.00000
26
0.06874
-0.14665
0.00000
27
-0.00273
0.00105
0.00000
28
0.11818
-0.07759
0.00000
29
0.04106
0.02120
0.00000
30
0.02617
-0.01323
0.00000
31
-0.01901
-0.02429
0.00000
32
-0.02231
0.05332
0.00000