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)
0.11000
Diff mu Y
(Debye)
0.07500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00900
-0.07330
0.00000
2
0.03647
-0.06980
0.00000
3
-0.08147
-0.00525
0.00000
4
0.07798
-0.03941
0.00000
5
0.02177
-0.02872
0.00000
6
-0.03394
0.00421
0.00000
7
-0.09594
0.05611
0.00000
8
-0.00132
0.07059
0.00000
9
-0.03965
0.05470
0.00000
10
-0.04759
0.05693
0.00000
11
0.00653
0.00912
0.00000
12
0.07153
-0.05853
0.00000
13
0.08010
-0.02180
0.00000
14
-0.01656
0.01220
0.00000
15
0.03755
0.00923
0.00000
16
-0.00157
0.00934
0.00000
17
0.02048
0.00279
0.00000
18
-0.00472
-0.00206
0.00000
19
-0.00983
-0.00424
0.00000
20
-0.00206
-0.00622
0.00000
21
-0.13539
0.10148
0.00000
22
0.03552
0.18105
0.00000
23
-0.02382
0.10225
0.00000
24
-0.05657
0.06634
0.00000
25
0.05136
-0.12104
-0.00001
26
0.07959
-0.02686
0.00001
27
0.00439
-0.01266
0.00000
28
-0.05230
-0.00186
0.00000
29
-0.00945
-0.00426
0.00000
30
-0.01456
0.00841
0.00000
31
0.02468
0.02347
0.00000
32
-0.00785
-0.02893
0.00000