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)
0.67300
Diff mu Y
(Debye)
0.21400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08160
0.07535
0.00000
2
0.03658
-0.08074
0.00000
3
0.05832
-0.00993
0.00000
4
0.00747
0.06024
0.00000
5
0.05223
0.01257
0.00000
6
0.02954
-0.03475
0.00000
7
-0.00800
-0.01856
0.00000
8
-0.01389
0.00367
0.00000
9
-0.00987
-0.06273
0.00000
10
-0.03864
0.06069
0.00000
11
-0.03420
-0.00854
0.00000
12
-0.03817
-0.06366
0.00000
13
0.02981
0.02602
0.00000
14
-0.06024
0.05325
0.00000
15
-0.03870
-0.04434
0.00000
16
0.05310
0.00249
0.00000
17
0.00858
0.03158
0.00000
18
0.03766
-0.03562
0.00000
19
-0.03487
-0.00268
0.00000
20
0.02572
0.03432
0.00000
21
-0.07022
0.05256
0.00000
22
-0.00532
0.04065
0.00000
23
0.03027
0.04917
0.00000
24
0.12789
-0.12887
0.00000
25
0.04988
0.19885
0.00000
26
0.01862
-0.02856
0.00000
27
0.11945
-0.15824
0.00000
28
0.01956
-0.00557
0.00000
29
0.01330
0.00930
0.00000
30
-0.06919
0.07916
0.00000
31
0.01093
0.03609
0.00000
32
-0.01680
-0.12823
0.00000