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)
-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)
0.03200
Diff mu Y
(Debye)
0.84400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00284
-0.06639
0.00000
2
0.00337
-0.07488
0.00000
3
0.04895
-0.02207
0.00000
4
-0.03497
-0.03177
0.00000
5
-0.04151
-0.01647
0.00000
6
0.04097
-0.01856
0.00000
7
0.08329
0.05683
0.00000
8
-0.12030
0.02876
0.00000
9
-0.06993
0.01315
0.00000
10
0.10323
0.06198
0.00000
11
0.02166
-0.01152
0.00000
12
0.04206
-0.00393
0.00000
13
-0.03357
-0.00010
0.00000
14
-0.03358
0.00147
0.00000
15
-0.01439
-0.00439
0.00000
16
-0.01396
0.05856
0.00000
17
0.03264
0.00105
0.00000
18
0.00156
0.00526
0.00000
19
-0.00265
0.01021
0.00000
20
-0.01711
0.01644
0.00000
21
0.14894
-0.02108
0.00000
22
-0.15250
-0.05801
0.00000
23
-0.10681
-0.09429
0.00000
24
0.15502
0.00797
0.00000
25
0.03607
-0.02113
0.00000
26
-0.03382
0.00572
0.00000
27
-0.02482
-0.00750
0.00000
28
-0.03224
0.05679
0.00000
29
0.01384
0.01510
0.00000
30
-0.01132
0.02019
0.00000
31
0.03943
0.02392
0.00000
32
-0.01516
0.02910
0.00000