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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.83700
Diff mu Y
(Debye)
-0.12300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05369
-0.00350
0.00000
2
0.08085
0.02837
0.00000
3
0.05872
-0.02820
0.00000
4
-0.08499
-0.07039
0.00000
5
0.03317
0.02065
0.00000
6
-0.03075
-0.04263
0.00000
7
-0.06181
0.04367
0.00000
8
0.04923
0.02294
0.00000
9
-0.01085
-0.00992
0.00000
10
0.00668
0.00538
0.00000
11
0.00663
0.00974
0.00000
12
0.04621
0.09027
0.00000
13
-0.01711
-0.03855
0.00000
14
-0.00686
0.03375
0.00000
15
0.00244
0.04728
0.00000
16
-0.02580
-0.04234
0.00000
17
-0.02627
0.00047
0.00000
18
0.05866
-0.03963
0.00000
19
-0.04776
0.02289
0.00000
20
0.00374
-0.04597
0.00000
21
0.11063
-0.16042
0.00000
22
0.01669
-0.09584
0.00000
23
-0.00468
0.01309
0.00000
24
0.02220
-0.01039
0.00000
25
-0.06166
-0.21932
0.00000
26
0.02603
0.10574
0.00000
27
0.05269
-0.03054
0.00000
28
0.01405
-0.04056
0.00000
29
0.09173
0.06004
0.00000
30
-0.08485
0.11293
0.00000
31
-0.00032
0.10517
0.00000
32
0.05026
0.10917
0.00000