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)
0.33100
Diff mu Y
(Debye)
-0.62600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00003
0.00025
0.00000
2
-0.00015
0.00029
0.00000
3
-0.00006
0.00031
0.00000
4
0.00022
0.00191
0.00000
5
-0.00080
-0.00123
0.00000
6
-0.00029
0.00086
0.00000
7
0.00999
0.00795
0.00000
8
-0.02985
0.01003
0.00000
9
-0.00960
0.00337
0.00000
10
0.01695
0.01590
0.00000
11
0.00016
0.00039
0.00000
12
0.01026
-0.00319
0.00000
13
-0.04206
0.01307
0.00000
14
0.00157
0.00181
0.00000
15
0.00071
0.00253
0.00000
16
0.00341
-0.01851
0.00000
17
-0.01556
0.00291
0.00000
18
0.02457
0.02321
0.00000
19
0.00147
-0.01470
0.00000
20
0.02615
-0.00743
0.00000
21
-0.12209
-0.10466
0.00000
22
0.35765
-0.11707
0.00000
23
0.12572
-0.04056
0.00000
24
-0.20688
-0.18441
0.00000
25
-0.10662
0.03333
0.00000
26
0.49805
-0.16124
0.00000
27
-0.02894
-0.02846
0.00000
28
-0.04169
0.20508
0.00000
29
-0.03674
0.16474
0.00000
30
-0.29300
-0.27333
0.00000
31
0.18437
-0.05131
0.00000
32
-0.29557
0.08463
0.00000