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)
-0.64400
Diff mu Y
(Debye)
2.16300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00415
0.06418
0.00000
2
0.03184
-0.05859
0.00000
3
-0.06677
-0.02239
0.00000
4
-0.06217
0.00163
0.00000
5
0.03536
-0.00706
0.00000
6
0.01957
0.01008
0.00000
7
0.04203
-0.05243
0.00000
8
0.02204
0.07349
0.00000
9
-0.00944
-0.03821
0.00000
10
-0.02279
0.03127
0.00000
11
0.07634
0.04479
0.00000
12
0.00194
-0.02053
0.00000
13
0.01707
0.01098
0.00000
14
-0.00729
0.00496
0.00000
15
-0.06384
0.02928
0.00000
16
0.00655
0.00415
0.00000
17
-0.01155
-0.05642
0.00000
18
-0.06745
0.06154
0.00000
19
0.05442
0.02289
0.00000
20
-0.02773
-0.09784
0.00000
21
-0.00116
0.00014
0.00000
22
-0.02832
-0.07501
0.00000
23
0.00500
0.00046
0.00000
24
0.02758
-0.02559
0.00000
25
-0.00520
-0.04046
0.00000
26
0.05601
0.12991
0.00000
27
0.03410
-0.04198
0.00000
28
0.04796
0.01255
0.00000
29
0.12121
0.04025
0.00000
30
0.14655
-0.16565
0.00000
31
-0.01668
-0.07346
0.00000
32
0.04200
0.17018
0.00000