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)
0.07600
Diff mu Y
(Debye)
0.12700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00292
-0.01207
0.00000
2
-0.04569
-0.02753
0.00000
3
0.01260
-0.03813
0.00000
4
-0.04120
-0.01380
0.00000
5
0.03718
0.06507
0.00000
6
-0.04418
-0.02898
0.00000
7
0.01068
-0.04899
0.00000
8
-0.03125
-0.05006
0.00000
9
0.03013
0.10439
0.00000
10
-0.03479
0.08043
0.00000
11
-0.00872
-0.03803
0.00000
12
0.06152
0.02047
0.00000
13
0.01590
0.05416
0.00000
14
0.06177
-0.02846
0.00000
15
0.00658
0.02522
0.00000
16
0.09233
0.00241
0.00000
17
-0.02821
-0.04327
0.00000
18
-0.04631
-0.04701
0.00000
19
-0.03225
0.00232
0.00000
20
-0.03145
0.01392
0.00000
21
0.02567
-0.06646
0.00000
22
-0.04605
-0.09352
0.00000
23
0.04253
0.14305
0.00000
24
-0.10077
0.15145
0.00000
25
0.08494
0.09318
0.00000
26
0.01247
0.04049
0.00000
27
0.11604
-0.09041
0.00000
28
0.10906
0.00550
0.00000
29
0.00240
0.01018
0.00000
30
-0.03565
-0.05822
0.00000
31
-0.02364
-0.02578
0.00000
32
-0.03900
-0.01495
0.00000