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)
0.17900
Diff mu Y
(Debye)
2.05700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03475
0.03873
0.00000
2
0.03191
-0.03972
0.00000
3
-0.01588
0.05619
0.00000
4
-0.01516
-0.14090
0.00000
5
-0.01549
0.06898
0.00000
6
0.03152
-0.03850
0.00000
7
0.01547
0.05020
0.00000
8
0.02507
-0.03329
0.00000
9
-0.00273
0.01957
0.00000
10
-0.01699
-0.03035
0.00000
11
0.02683
-0.05732
0.00000
12
-0.03009
0.03401
0.00000
13
0.02530
-0.02992
0.00000
14
0.00110
0.01792
0.00000
15
-0.00218
-0.01882
0.00000
16
-0.01027
0.02210
0.00000
17
-0.00270
-0.03440
0.00000
18
-0.00656
0.02732
0.00000
19
0.01234
0.00079
0.00000
20
-0.01857
0.00532
0.00000
21
-0.01975
0.10206
0.00000
22
0.08811
0.12730
0.00000
23
-0.00476
0.02569
0.00000
24
-0.05644
0.00683
0.00000
25
0.10568
0.45384
0.00000
26
-0.00868
-0.15686
0.00000
27
-0.07391
0.11039
0.00000
28
0.02094
0.03319
0.00000
29
-0.07734
-0.01991
0.00000
30
-0.00619
0.02956
0.00000
31
0.02288
0.06725
0.00000
32
0.03109
0.19811
0.00000