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)
-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)
0.19200
Diff mu Y
(Debye)
-0.13700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02233
-0.00327
0.00000
2
0.00156
-0.00855
0.00000
3
0.01457
0.01594
0.00000
4
0.01493
0.03773
0.00000
5
-0.01646
-0.03111
0.00000
6
0.01596
-0.03719
0.00000
7
-0.00376
-0.01936
0.00000
8
-0.01298
0.00629
0.00000
9
0.00745
0.01602
0.00000
10
0.00069
-0.00759
0.00000
11
0.03861
0.01291
0.00000
12
0.00436
-0.00143
0.00000
13
0.00598
0.00373
0.00000
14
0.00221
0.01555
0.00000
15
-0.02125
-0.01106
0.00000
16
-0.00060
-0.00470
0.00000
17
-0.01458
0.02639
0.00000
18
0.03564
-0.04155
0.00000
19
-0.05259
-0.00856
0.00000
20
0.00893
0.02079
0.00000
21
0.05192
-0.08695
0.00000
22
-0.00856
0.02849
0.00000
23
0.04675
0.13017
0.00000
24
-0.05285
0.05176
0.00000
25
-0.00397
-0.02938
0.00000
26
0.03925
0.10918
0.00000
27
-0.04546
0.07257
0.00000
28
-0.06585
-0.01814
0.00000
29
-0.52325
-0.12152
0.00000
30
0.37668
-0.40121
0.00000
31
0.01651
0.16167
0.00000
32
0.09328
0.32974
0.00000