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)
0.07400
Diff mu Y
(Debye)
-0.02900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00034
-0.00005
0.00000
2
-0.00026
0.00020
0.00000
3
0.00014
0.00009
0.00000
4
-0.00024
-0.00052
0.00000
5
0.00105
0.00085
0.00000
6
-0.00166
0.00176
0.00000
7
-0.00262
-0.00131
0.00000
8
0.01347
-0.00456
0.00000
9
-0.04377
0.01294
0.00000
10
0.03513
0.02837
0.00000
11
-0.00013
0.00000
0.00000
12
-0.00732
0.00230
0.00000
13
-0.00233
0.00066
0.00000
14
-0.03622
-0.03111
0.00000
15
0.00003
0.00040
0.00000
16
0.00053
0.00851
0.00000
17
0.00155
-0.00023
0.00000
18
-0.00127
-0.00131
0.00000
19
-0.00120
0.00290
0.00000
20
0.01321
-0.00356
0.00000
21
0.02733
0.02201
0.00000
22
-0.15296
0.05065
0.00000
23
0.49839
-0.16489
0.00000
24
-0.39124
-0.33892
0.00000
25
0.08371
-0.02830
0.00000
26
0.02580
-0.00999
0.00000
27
0.40937
0.35430
0.00000
28
0.01869
-0.10116
0.00000
29
0.00940
-0.03737
0.00000
30
0.01489
0.01408
0.00000
31
-0.01726
0.00403
0.00000
32
-0.14994
0.04080
0.00000