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)
0.14400
Diff mu Y
(Debye)
-0.01100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00044
-0.00058
0.00000
2
-0.00008
-0.00001
0.00000
3
0.00019
-0.00003
0.00000
4
0.00003
-0.00002
0.00000
5
-0.00003
-0.00274
0.00000
6
0.00009
0.00000
0.00000
7
-0.00013
0.00001
0.00000
8
-0.00008
-0.00001
0.00000
9
0.00477
-0.00140
0.00000
10
-0.00103
-0.00063
0.00000
11
0.00057
0.00018
0.00000
12
0.00001
0.00004
0.00000
13
-0.08013
0.02391
0.00000
14
0.00011
0.00007
0.00000
15
0.00230
0.00310
0.00000
16
-0.00002
-0.00004
0.00000
17
0.00041
0.00002
0.00000
18
-0.00007
-0.00015
0.00000
19
-0.00036
0.00084
0.00000
20
0.00632
-0.00187
0.00000
21
0.00047
0.00047
0.00000
22
0.00096
-0.00030
0.00000
23
-0.05150
0.01959
0.00000
24
0.01230
0.01076
0.00000
25
0.00002
0.00000
0.00000
26
0.90524
-0.28204
0.00000
27
-0.00101
-0.00081
0.00000
28
-0.00010
0.00050
0.00000
29
0.00318
-0.01343
0.00000
30
0.00107
0.00090
0.00000
31
-0.00549
0.00116
0.00000
32
-0.07097
0.01696
0.00000