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)
-0.27200
Diff mu Y
(Debye)
-0.00300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00009
-0.00031
0.00000
2
0.00000
-0.00001
0.00000
3
0.00025
-0.00112
0.00000
4
0.00012
0.00046
0.00000
5
-0.00015
0.00021
0.00000
6
0.00012
-0.00005
0.00000
7
-0.03631
-0.03198
0.00000
8
-0.01618
0.00655
0.00000
9
-0.00533
0.00188
0.00000
10
-0.00307
-0.00272
0.00000
11
-0.00021
0.00134
0.00000
12
-0.00672
0.00224
0.00000
13
-0.00629
0.00202
0.00000
14
-0.00251
-0.00195
0.00000
15
-0.00052
0.00007
0.00000
16
-0.00053
0.00200
0.00000
17
-0.05247
0.01531
0.00000
18
-0.01940
-0.01903
0.00000
19
0.00204
-0.00732
0.00000
20
-0.00441
0.00134
0.00000
21
0.43249
0.37676
0.00000
22
0.18183
-0.05963
0.00000
23
0.06841
-0.02292
0.00000
24
0.03918
0.03498
0.00000
25
0.07831
-0.02666
0.00000
26
0.08384
-0.02709
0.00000
27
0.03231
0.02884
0.00000
28
0.00188
-0.02237
0.00000
29
-0.01938
0.07800
0.00000
30
0.22287
0.20919
0.00000
31
0.62166
-0.17989
0.00000
32
0.06224
-0.01937
0.00000