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)
0.13000
Diff mu Y
(Debye)
-0.68700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00036
-0.00033
0.00000
2
-0.00018
0.00001
0.00000
3
-0.00151
0.00088
0.00000
4
-0.00055
-0.00080
0.00000
5
-0.00003
0.00004
0.00000
6
-0.00002
-0.00002
0.00000
7
0.03611
0.03325
0.00000
8
0.01671
-0.00752
0.00000
9
0.00025
-0.00008
0.00000
10
-0.00012
-0.00010
0.00000
11
0.00104
0.00152
0.00000
12
0.00173
-0.00040
0.00000
13
0.00102
-0.00032
0.00000
14
-0.00053
-0.00040
0.00000
15
0.00043
0.00054
0.00000
16
0.00016
-0.00113
0.00000
17
-0.03913
0.01251
0.00000
18
-0.02859
-0.02834
0.00000
19
0.00834
-0.03227
0.00000
20
0.01395
-0.00219
0.00000
21
-0.41939
-0.36774
0.00000
22
-0.18146
0.06112
0.00000
23
-0.00219
0.00079
0.00000
24
0.00131
0.00102
0.00000
25
-0.01830
0.00662
0.00000
26
-0.01215
0.00312
0.00000
27
0.00534
0.00478
0.00000
28
-0.00245
0.01307
0.00000
29
-0.08699
0.35488
0.00000
30
0.31560
0.30413
0.00000
31
0.44018
-0.12038
0.00000
32
-0.14326
0.03808
0.00000