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)
-0.14300
Diff mu Y
(Debye)
0.07700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02801
-0.04743
0.00000
2
0.02032
0.01009
0.00000
3
0.01062
0.04000
0.00000
4
-0.04115
0.01017
0.00000
5
-0.00631
0.00250
0.00000
6
0.04098
0.00115
0.00000
7
0.01548
0.00416
0.00000
8
-0.00204
-0.03780
0.00000
9
0.05833
0.06338
0.00000
10
-0.08718
0.02650
0.00000
11
0.02352
0.01890
0.00000
12
0.00165
0.00624
0.00000
13
-0.01348
-0.03296
0.00000
14
0.00194
-0.03277
0.00000
15
0.00717
-0.02066
0.00000
16
0.02884
0.01793
0.00000
17
-0.03415
-0.03895
0.00000
18
0.02277
-0.02421
0.00000
19
0.04794
0.01309
0.00000
20
-0.01644
0.03945
0.00000
21
-0.05111
0.08650
0.00000
22
0.06700
0.16976
0.00000
23
-0.08252
-0.36201
0.00000
24
0.18770
-0.27902
0.00000
25
-0.03949
-0.10769
0.00000
26
0.03000
0.09571
0.00000
27
-0.07849
0.05221
0.00000
28
-0.16863
-0.02190
0.00000
29
-0.24535
-0.05498
0.00000
30
-0.16948
0.17249
0.00000
31
0.01536
0.15918
0.00000
32
-0.06974
-0.13370
0.00000