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)
-0.24300
Diff mu Y
(Debye)
0.10000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00810
0.06253
0.00000
2
-0.00111
-0.07309
0.00000
3
0.00287
-0.02478
0.00000
4
0.00311
0.05869
0.00000
5
0.00931
-0.05756
0.00000
6
-0.00615
0.07186
0.00000
7
-0.01637
0.04918
0.00000
8
-0.00303
-0.06302
0.00000
9
-0.00614
0.12432
0.00000
10
0.04295
-0.11741
0.00000
11
-0.01744
-0.02229
0.00000
12
-0.01612
-0.04241
0.00000
13
-0.01285
0.00742
0.00000
14
-0.00056
-0.02796
0.00000
15
0.01802
0.03491
0.00000
16
0.02277
0.01869
0.00000
17
0.00655
0.05199
0.00000
18
0.00573
-0.04056
0.00000
19
0.03495
0.03464
0.00000
20
-0.02954
-0.05649
0.00000
21
0.04980
-0.02271
0.00000
22
0.04316
0.07010
0.00000
23
-0.09407
-0.10671
0.00000
24
-0.13583
0.06315
0.00000
25
0.01285
0.04774
0.00000
26
-0.01421
0.01171
0.00000
27
-0.03234
0.00496
0.00000
28
-0.03381
0.00816
0.00000
29
-0.06274
0.01584
0.00000
30
-0.05674
0.01915
0.00000
31
-0.02530
-0.05716
0.00000
32
0.00561
0.08092
0.00000