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)
-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)
0.20700
Diff mu Y
(Debye)
-0.05500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00385
-0.00086
0.00000
2
-0.00535
0.00147
0.00000
3
0.00001
-0.00025
0.00000
4
0.00011
-0.00004
0.00000
5
0.00123
0.00031
0.00000
6
0.00069
-0.00222
0.00000
7
0.00003
0.00001
0.00000
8
-0.00201
0.00046
0.00000
9
-0.02044
0.00447
0.00000
10
-0.07505
0.02067
0.00000
11
-0.00010
0.00005
0.00000
12
0.00264
0.00229
0.00000
13
0.00824
0.00776
0.00000
14
0.00692
-0.01669
0.00000
15
-0.00120
-0.00095
0.00000
16
0.00089
-0.00025
0.00000
17
-0.00004
0.00032
0.00000
18
-0.00077
-0.00060
0.00000
19
-0.04406
0.01007
0.00000
20
0.06206
-0.01329
0.00000
21
0.23064
-0.05760
0.00000
22
0.85111
-0.23420
0.00000
23
0.02293
-0.00641
0.00000
24
-0.09285
-0.08989
0.00000
25
-0.05624
0.21028
0.00000
26
-0.02944
-0.02630
0.00000
27
0.01366
0.01066
0.00000
28
-0.01028
0.00351
0.00000
29
0.00083
-0.00392
0.00000
30
0.00852
0.00705
0.00000