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)
0.22000
Diff mu Y
(Debye)
0.08800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00006
0.00003
0.00000
2
0.00009
0.00002
0.00000
3
0.00047
-0.00005
0.00000
4
0.00019
0.00015
0.00000
5
0.00004
0.00014
0.00000
6
-0.00004
0.00005
0.00000
7
-0.00546
-0.00490
0.00000
8
-0.00655
0.00243
0.00000
9
0.00040
-0.00026
0.00000
10
0.00052
0.00053
0.00000
11
-0.00057
-0.00038
0.00000
12
-0.00060
0.00029
0.00000
13
-0.00061
-0.00008
0.00000
14
-0.00014
-0.00022
0.00000
15
0.00008
-0.00022
0.00000
16
-0.00003
-0.00012
0.00000
17
0.02533
-0.00317
0.00000
18
-0.05529
-0.05186
0.00000
19
-0.00048
0.01668
0.00000
20
-0.01351
0.00286
0.00000
21
0.06144
0.05067
0.00000
22
0.07324
-0.02443
0.00000
23
-0.00509
0.00175
0.00000
24
-0.00619
-0.00538
0.00000
25
0.00704
-0.00263
0.00000
26
0.00585
-0.00130
0.00000
27
0.00217
0.00186
0.00000
28
-0.00028
0.00106
0.00000
29
0.04207
-0.18832
0.00000
30
0.62707
0.59394
0.00000
31
-0.29067
0.06694
0.00000
32
0.15121
-0.04062
0.00000