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)
-0.12800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02489
2
0.00000
0.00000
-0.01791
3
0.00000
0.00000
0.04247
4
0.00000
0.00000
-0.03278
5
0.00000
0.00000
0.03992
6
0.00000
0.00000
-0.03476
7
0.00000
0.00000
-0.05090
8
0.00000
0.00000
-0.09004
9
0.00000
0.00000
-0.04736
10
0.00000
0.00000
-0.09137
11
0.00000
0.00000
0.08575
12
0.00000
0.00000
0.02300
13
0.00000
0.00000
0.08260
14
0.00000
0.00000
0.02023
15
0.00000
0.00000
0.07636
16
0.00000
0.00000
0.07186
17
0.00000
0.00000
0.07562
18
0.00000
0.00000
-0.02911
19
0.00000
0.00000
-0.09802
20
0.00000
0.00000
-0.01668
21
0.00000
0.00000
-0.09792
22
0.00000
0.00000
-0.15536
23
0.00000
0.00000
-0.08089
24
0.00000
0.00000
-0.15702
25
0.00000
0.00000
0.03487
26
0.00000
0.00000
0.07504
27
0.00000
0.00000
0.02819
28
0.00000
0.00000
0.13349
29
0.00000
0.00000
-0.20048
30
0.00000
0.00000
-0.06166
31
0.00000
0.00000
0.12813
32
0.00000
0.00000
-0.04850