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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 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)
0.07600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.10717
2
0.00000
0.00000
0.09316
3
0.00000
0.00000
0.12036
4
0.00000
0.00000
-0.03526
5
0.00000
0.00000
0.05180
6
0.00000
0.00000
-0.06435
7
0.00000
0.00000
-0.07010
8
0.00000
0.00000
-0.02418
9
0.00000
0.00000
-0.00604
10
0.00000
0.00000
0.02877
11
0.00000
0.00000
-0.07187
12
0.00000
0.00000
0.02920
13
0.00000
0.00000
-0.01359
14
0.00000
0.00000
0.00702
15
0.00000
0.00000
0.02799
16
0.00000
0.00000
-0.00881
17
0.00000
0.00000
-0.00169
18
0.00000
0.00000
-0.01875
19
0.00000
0.00000
0.03649
20
0.00000
0.00000
0.01876
21
0.00000
0.00000
0.19422
22
0.00000
0.00000
0.35769
23
0.00000
0.00000
-0.11892
24
0.00000
0.00000
-0.01470
25
0.00000
0.00000
-0.08190
26
0.00000
0.00000
-0.06429
27
0.00000
0.00000
0.09999
28
0.00000
0.00000
-0.05797
29
0.00000
0.00000
-0.14387
30
0.00000
0.00000
-0.01423
31
0.00000
0.00000
0.16113
32
0.00000
0.00000
-0.21867