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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.29100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00645
2
0.00000
0.00000
0.04409
3
0.00000
0.00000
-0.00116
4
0.00000
0.00000
-0.03637
5
0.00000
0.00000
-0.01511
6
0.00000
0.00000
0.05517
7
0.00000
0.00000
0.08724
8
0.00000
0.00000
-0.06960
9
0.00000
0.00000
-0.03235
10
0.00000
0.00000
0.01842
11
0.00000
0.00000
-0.10767
12
0.00000
0.00000
0.02782
13
0.00000
0.00000
0.04863
14
0.00000
0.00000
-0.04423
15
0.00000
0.00000
-0.11036
16
0.00000
0.00000
0.01512
17
0.00000
0.00000
0.07065
18
0.00000
0.00000
-0.03542
19
0.00000
0.00000
-0.01576
20
0.00000
0.00000
0.06198
21
0.00000
0.00000
0.15748
22
0.00000
0.00000
-0.17154
23
0.00000
0.00000
-0.07544
24
0.00000
0.00000
0.00587
25
0.00000
0.00000
0.05895
26
0.00000
0.00000
0.24973
27
0.00000
0.00000
-0.15895
28
0.00000
0.00000
0.00598
29
0.00000
0.00000
0.01240
30
0.00000
0.00000
-0.04526
31
0.00000
0.00000
0.27150
32
0.00000
0.00000
0.22922