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)
-0.23400
Diff mu Y
(Debye)
0.10800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00077
-0.00025
0.00000
2
-0.00031
-0.00022
0.00000
3
0.00006
0.00006
0.00000
4
0.00010
0.00027
0.00000
5
-0.00037
-0.00127
0.00000
6
-0.00068
0.00106
0.00000
7
-0.00011
-0.00027
0.00000
8
-0.00106
0.00042
0.00000
9
-0.03629
0.01123
0.00000
10
0.03147
0.02832
0.00000
11
0.00022
-0.00009
0.00000
12
0.00531
-0.00195
0.00000
13
-0.04156
0.01387
0.00000
14
-0.01028
-0.00937
0.00000
15
0.00078
0.00212
0.00000
16
-0.00126
0.00792
0.00000
17
0.00168
-0.00034
0.00000
18
-0.00468
-0.00476
0.00000
19
-0.00425
0.01417
0.00000
20
0.02903
-0.00808
0.00000
21
0.00121
0.00117
0.00000
22
0.01218
-0.00418
0.00000
23
0.43051
-0.14116
0.00000
24
-0.36761
-0.33640
0.00000
25
-0.06379
0.02118
0.00000
26
0.48102
-0.15709
0.00000
27
0.12074
0.10684
0.00000
28
0.01942
-0.09641
0.00000
29
0.04323
-0.17750
0.00000
30
0.05752
0.05557
0.00000
31
-0.02195
0.00568
0.00000
32
-0.33820
0.09308
0.00000