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)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.37900
Diff mu Y
(Debye)
-0.69100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01402
0.00372
0.00000
2
-0.00085
0.00111
0.00000
3
0.00004
0.00059
0.00000
4
-0.00069
-0.00103
0.00000
5
0.00016
-0.00026
0.00000
6
0.00002
-0.00031
0.00000
7
0.00081
-0.00034
0.00000
8
0.03952
-0.01442
0.00000
9
-0.01032
0.00384
0.00000
10
-0.01373
0.00377
0.00000
11
-0.00098
0.00045
0.00000
12
0.03257
0.03353
0.00000
13
-0.02111
-0.02104
0.00000
14
0.00225
-0.00375
0.00000
15
-0.02810
-0.02376
0.00000
16
0.00005
0.00121
0.00000
17
0.00132
-0.00722
0.00000
18
0.01264
0.00997
0.00000
19
0.16117
-0.04430
0.00000
20
0.01661
-0.00417
0.00000
21
0.11189
-0.03157
0.00000
22
0.16584
-0.04748
0.00000
23
-0.44957
0.13989
0.00000
24
0.23865
0.23248
0.00000
25
-0.01088
0.03861
0.00000
26
-0.38665
-0.35936
0.00000
27
0.32567
0.27167
0.00000
28
-0.01060
0.00202
0.00000
29
-0.01509
0.09058
0.00000
30
-0.14210
-0.12245
0.00000