Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-1.16400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05504
0.00371
2
0.00000
0.05506
0.00372
3
0.00000
0.00177
-0.01097
4
0.00000
-0.00179
-0.01101
5
0.00000
0.00855
0.01413
6
0.00000
-0.00857
0.01415
7
0.00000
-0.00218
-0.03428
8
0.00000
0.00218
-0.03424
9
0.00000
-0.04006
0.00306
10
0.00000
0.04006
0.00305
11
0.00000
0.05171
0.05068
12
0.00000
-0.05170
0.05068
13
0.00000
0.04398
-0.01220
14
0.00000
-0.04397
-0.01220
15
0.00000
-0.04203
-0.04663
16
0.00000
0.04202
-0.04661
17
0.00000
-0.02899
0.05188
18
0.00000
0.02898
0.05187
19
0.00000
0.07823
0.00486
20
0.00000
-0.07821
0.00485
21
0.00000
-0.05056
0.09829
22
0.00000
0.05055
0.09826
23
0.00000
-0.11269
-0.04845
24
0.00000
0.11272
-0.04846
25
0.00000
-0.15856
0.10047
26
0.00000
0.15854
0.10044
27
0.00000
0.07399
-0.06506
28
0.00000
-0.07399
-0.06507
29
0.00000
-0.03825
-0.24154
30
0.00000
0.03823
-0.24147
31
0.00000
-0.15188
-0.13244
32
0.00000
0.15182
-0.13241