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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.03300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.04176
2
0.00000
0.00000
-0.01373
3
0.00000
0.00000
-0.05685
4
0.00000
0.00000
-0.02452
5
0.00000
0.00000
-0.04982
6
0.00000
0.00000
0.03161
7
0.00000
0.00000
-0.09877
8
0.00000
0.00000
-0.08687
9
0.00000
0.00000
-0.02566
10
0.00000
0.00000
0.01974
11
0.00000
0.00000
-0.01446
12
0.00000
0.00000
0.02595
13
0.00000
0.00000
-0.07200
14
0.00000
0.00000
0.08701
15
0.00000
0.00000
-0.03717
16
0.00000
0.00000
0.08577
17
0.00000
0.00000
0.06832
18
0.00000
0.00000
0.11184
19
0.00000
0.00000
0.06961
20
0.00000
0.00000
-0.00429
21
0.00000
0.00000
-0.14409
22
0.00000
0.00000
-0.11802
23
0.00000
0.00000
-0.03445
24
0.00000
0.00000
0.04799
25
0.00000
0.00000
0.02097
26
0.00000
0.00000
-0.08438
27
0.00000
0.00000
0.12889
28
0.00000
0.00000
0.12957
29
0.00000
0.00000
0.10012
30
0.00000
0.00000
0.18010
31
0.00000
0.00000
0.11154
32
0.00000
0.00000
-0.02796