Charge: -1
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-1
Electronic States
Energy
(eV)
-691.62999
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03982 b
(cm-1)
0.00842 c
(cm-1)
0.00695
Dipole Moments
mu_x(Debye)
-0.27351 mu_y
(Debye)
0.67795 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.18500
Diff mu Y
(Debye)
-0.11500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00239
0.00051
0.00000
2
-0.08123
0.01953
0.00000
3
0.00055
-0.00049
0.00000
4
0.00001
-0.00276
0.00000
5
0.00062
0.00010
0.00000
6
0.00220
0.00315
0.00000
7
-0.00010
0.00007
0.00000
8
0.00743
-0.00191
0.00000
9
0.00096
-0.00017
0.00000
10
0.00485
-0.00160
0.00000
11
0.00008
-0.00010
0.00000
12
-0.00185
-0.00129
0.00000
13
-0.00013
-0.00015
0.00000
14
-0.00027
0.00071
0.00000
15
0.00047
0.00025
0.00000
16
-0.00012
0.00008
0.00000
17
0.00003
-0.00009
0.00000
18
0.00014
0.00019
0.00000
19
0.02837
-0.00688
0.00000
20
0.91756
-0.23104
0.00000
21
-0.01165
0.00283
0.00000
22
-0.05491
0.01275
0.00000
23
-0.08111
0.02599
0.00000
24
0.00161
0.00147
0.00000
25
0.00273
-0.01090
0.00000
26
0.02119
0.01895
0.00000
27
-0.00450
-0.00350
0.00000
28
0.00145
-0.00046
0.00000
29
-0.00024
0.00115
0.00000
30
-0.00188
-0.00148
0.00000