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)
-0.64200
Diff mu Y
(Debye)
-0.09100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00035
-0.00010
0.00000
2
0.00099
0.00015
0.00000
3
0.00013
-0.00005
0.00000
4
-0.00021
-0.00159
0.00000
5
-0.00005
-0.00002
0.00000
6
-0.00130
0.00200
0.00000
7
0.00513
0.00377
0.00000
8
-0.01590
0.00533
0.00000
9
0.00905
-0.00331
0.00000
10
0.00002
0.00056
0.00000
11
-0.00004
0.00016
0.00000
12
-0.05463
0.01839
0.00000
13
0.00261
-0.00091
0.00000
14
-0.04059
-0.03722
0.00000
15
0.00006
0.00007
0.00000
16
0.00430
-0.00368
0.00000
17
-0.00358
0.00080
0.00000
18
0.00331
0.00319
0.00000
19
-0.00020
0.00001
0.00000
20
0.00354
-0.00100
0.00000
21
-0.05824
-0.04991
0.00000
22
0.18583
-0.05865
0.00000
23
-0.10260
0.03404
0.00000
24
0.00087
-0.00250
0.00000
25
0.63126
-0.21070
0.00000
26
-0.03040
0.00997
0.00000
27
0.47046
0.42458
0.00000
28
-0.01523
0.05096
0.00000
29
0.00046
-0.00062
0.00000
30
-0.03899
-0.03752
0.00000
31
0.04172
-0.01099
0.00000
32
-0.04073
0.01154
0.00000