Charge: 0
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
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)
0.30600
Diff mu Y
(Debye)
0.08000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00057
0.00011
0.00000
2
0.00060
0.00019
0.00000
3
-0.00006
-0.00004
0.00000
4
-0.00001
-0.00005
0.00000
5
0.00162
0.00190
0.00000
6
0.00248
-0.00112
0.00000
7
-0.00009
-0.00012
0.00000
8
0.00010
0.00000
0.00000
9
-0.05290
0.02006
0.00000
10
-0.04701
-0.04335
0.00000
11
0.00007
0.00001
0.00000
12
-0.00038
0.00012
0.00000
13
-0.00212
0.00061
0.00000
14
-0.00452
-0.00381
0.00000
15
0.00007
-0.00010
0.00000
16
-0.00009
0.00172
0.00000
17
0.00027
-0.00004
0.00000
18
-0.00049
-0.00049
0.00000
19
0.00003
-0.00004
0.00000
20
-0.00066
0.00020
0.00000
21
0.00122
0.00105
0.00000
22
-0.00127
0.00039
0.00000
23
0.59420
-0.20119
0.00000
24
0.53579
0.46734
0.00000
25
0.00446
-0.00143
0.00000
26
0.02360
-0.00910
0.00000
27
0.04970
0.04556
0.00000
28
0.00331
-0.01857
0.00000
29
-0.00017
0.00040
0.00000
30
0.00571
0.00539
0.00000
31
-0.00312
0.00071
0.00000
32
0.00739
-0.00207
0.00000