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)
-0.61000
Diff mu Y
(Debye)
0.05600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00444
-0.00614
0.00000
2
0.01329
0.02033
0.00000
3
-0.02199
0.00287
0.00000
4
-0.01492
-0.02364
0.00000
5
0.01602
-0.02327
0.00000
6
-0.01264
-0.01305
0.00000
7
0.01178
-0.03831
0.00000
8
0.00919
0.06127
0.00000
9
-0.00421
0.08211
0.00000
10
0.01671
-0.06153
0.00000
11
0.08261
0.00666
0.00000
12
0.02098
-0.00683
0.00000
13
0.01225
0.00705
0.00000
14
0.02542
0.01346
0.00000
15
-0.07910
-0.03041
0.00000
16
-0.06709
-0.00657
0.00000
17
-0.03488
0.05409
0.00000
18
0.02100
-0.06892
0.00000
19
0.02450
-0.00268
0.00000
20
0.02313
0.07162
0.00000
21
-0.02822
0.00756
0.00000
22
-0.05331
-0.11914
0.00000
23
-0.08962
-0.15889
0.00000
24
-0.06768
0.02386
0.00000
25
0.04592
0.05824
0.00000
26
0.04240
0.08870
0.00000
27
0.03833
0.00734
0.00000
28
0.21635
0.05070
0.00000
29
-0.23700
-0.06457
0.00000
30
-0.14268
0.09576
0.00000
31
-0.09192
-0.14620
0.00000
32
-0.08045
-0.29740
0.00000