Charge: 2
Inchi:1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/q+2
Electronic States
Energy
(eV)
-692.28642
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00844 c
(cm-1)
0.00694
Dipole Moments
mu_x(Debye)
-0.13629 mu_y
(Debye)
0.70909 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.16300
Diff mu Y
(Debye)
-0.11200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00387
-0.00058
0.00000
2
0.01516
-0.00451
0.00000
3
-0.00033
-0.00075
0.00000
4
0.00043
0.00115
0.00000
5
-0.00022
0.00089
0.00000
6
-0.00063
-0.00110
0.00000
7
-0.00002
0.00027
0.00000
8
-0.00169
0.00010
0.00000
9
-0.02796
0.00786
0.00000
10
-0.03158
0.00940
0.00000
11
-0.00004
-0.00002
0.00000
12
0.00063
0.00062
0.00000
13
0.03026
0.02920
0.00000
14
0.01146
-0.04536
0.00000
15
0.00012
-0.00008
0.00000
16
-0.00015
0.00019
0.00000
17
0.00008
-0.00053
0.00000
18
0.00018
0.00029
0.00000
19
-0.04300
0.01042
0.00000
20
-0.17793
0.05006
0.00000
21
0.34219
-0.09767
0.00000
22
0.38704
-0.11257
0.00000
23
0.01817
-0.00616
0.00000
24
-0.37239
-0.35758
0.00000
25
-0.13809
0.55455
0.00000
26
-0.00760
-0.00708
0.00000
27
-0.00105
-0.00113
0.00000
28
0.00174
-0.00067
0.00000
29
-0.00116
0.00550
0.00000
30
-0.00266
-0.00242
0.00000