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)
-0.89900
Diff mu Y
(Debye)
1.09200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01609
-0.03518
0.00000
2
-0.02854
0.01921
0.00000
3
0.05868
0.01128
0.00000
4
0.01201
-0.02094
0.00000
5
-0.01253
-0.02751
0.00000
6
-0.00003
0.03758
0.00000
7
-0.03462
-0.04938
0.00000
8
0.03214
0.11410
0.00000
9
0.01676
0.01282
0.00000
10
-0.00746
0.00235
0.00000
11
-0.03118
0.02235
0.00000
12
-0.04964
-0.09406
0.00000
13
0.00316
0.03511
0.00000
14
0.04124
-0.07306
0.00000
15
0.02284
-0.01367
0.00000
16
0.02483
0.07407
0.00000
17
-0.00492
-0.02121
0.00000
18
0.01685
-0.00962
0.00000
19
0.00174
0.01773
0.00000
20
-0.01565
-0.02322
0.00000
21
-0.01669
-0.08399
0.00000
22
-0.10649
-0.30224
0.00000
23
0.00023
-0.04353
0.00000
24
0.01585
-0.02513
0.00000
25
0.07137
0.27089
0.00000
26
-0.04166
-0.10651
0.00000
27
-0.17135
0.17076
0.00000
28
-0.09794
0.06195
0.00000
29
-0.00753
0.01960
0.00000
30
-0.04632
0.05968
0.00000
31
0.03297
0.13556
0.00000
32
0.01526
0.09609
0.00000