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)
0.00900
Diff mu Y
(Debye)
0.04900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02619
0.04324
0.00000
2
0.03192
0.00272
0.00000
3
0.01033
0.08655
0.00000
4
0.02360
-0.01542
0.00000
5
-0.01457
0.01391
0.00000
6
0.01064
-0.03184
0.00000
7
-0.01307
-0.03559
0.00000
8
-0.01656
-0.04345
0.00000
9
-0.06126
-0.01062
0.00000
10
0.01678
-0.00628
0.00000
11
-0.05831
0.06500
0.00000
12
0.03189
0.01477
0.00000
13
0.09820
0.03098
0.00000
14
-0.05522
-0.06182
0.00000
15
0.03167
0.02663
0.00000
16
-0.00690
0.07303
0.00000
17
-0.10435
-0.00398
0.00000
18
0.01115
-0.00511
0.00000
19
0.01792
-0.06446
0.00000
20
0.01188
-0.03731
0.00000
21
0.06281
-0.11975
0.00000
22
-0.01281
-0.03084
0.00000
23
-0.08093
-0.06353
0.00000
24
0.04796
-0.04310
0.00000
25
0.01389
-0.03696
0.00000
26
0.12779
0.11755
0.00000
27
-0.01159
-0.11092
0.00000
28
0.05865
0.08625
0.00000
29
-0.01926
-0.07610
0.00000
30
0.03743
-0.03773
0.00000
31
-0.14246
-0.13082
0.00000
32
0.01445
-0.04160
0.00000