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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.58700
Diff mu Y
(Debye)
0.14700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02141
-0.00546
0.00000
2
-0.00242
0.00085
0.00000
3
-0.00043
-0.00085
0.00000
4
-0.00034
-0.00042
0.00000
5
0.00112
0.00184
0.00000
6
-0.00007
-0.00132
0.00000
7
0.00035
-0.00022
0.00000
8
0.01314
-0.00513
0.00000
9
-0.02919
0.01022
0.00000
10
-0.03377
0.00756
0.00000
11
-0.00045
0.00062
0.00000
12
0.00968
0.01059
0.00000
13
-0.03006
-0.03456
0.00000
14
-0.00672
0.04142
0.00000
15
-0.00582
-0.00521
0.00000
16
-0.00619
0.00259
0.00000
17
0.00229
-0.00882
0.00000
18
-0.00328
-0.00250
0.00000
19
-0.24888
0.06358
0.00000
20
0.02795
-0.00588
0.00000
21
0.32679
-0.09403
0.00000
22
0.37100
-0.10238
0.00000
23
-0.14800
0.04719
0.00000
24
0.36694
0.37157
0.00000
25
0.10947
-0.46542
0.00000
26
-0.11409
-0.11032
0.00000
27
0.06604
0.05616
0.00000
28
0.07228
-0.02465
0.00000
29
-0.02152
0.10185
0.00000
30
0.03428
0.02888
0.00000