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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.39300
Diff mu Y
(Debye)
0.16800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04326
-0.01443
0.00000
2
0.03149
0.02642
0.00000
3
-0.02735
0.04001
0.00000
4
0.00660
0.02113
0.00000
5
0.05532
-0.02569
0.00000
6
-0.01417
-0.05652
0.00000
7
0.08461
-0.05601
0.00000
8
-0.05542
-0.03950
0.00000
9
-0.01112
0.03757
0.00000
10
0.00639
-0.01302
0.00000
11
-0.01201
0.02276
0.00000
12
0.05028
0.04962
0.00000
13
-0.03667
0.00112
0.00000
14
0.00866
0.05296
0.00000
15
0.05485
0.00812
0.00000
16
-0.08416
-0.05114
0.00000
17
-0.01629
-0.04712
0.00000
18
0.01837
0.00630
0.00000
19
-0.00021
0.01831
0.00000
20
-0.02489
-0.03432
0.00000
21
-0.20027
0.27756
0.00000
22
0.03305
0.24390
0.00000
23
-0.05410
-0.09239
0.00000
24
0.00964
-0.02583
0.00000
25
0.01225
-0.09281
0.00000
26
-0.02347
0.03890
0.00000
27
0.12627
-0.07635
0.00000
28
0.18520
0.00099
0.00000
29
0.00856
0.02453
0.00000
30
-0.04465
0.07932
0.00000
31
0.02700
0.11442
0.00000
32
0.02733
0.14405
0.00000