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)
-0.31100
Diff mu Y
(Debye)
-0.68300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03738
0.08868
0.00000
2
0.00933
0.01983
0.00000
3
-0.00679
-0.06369
0.00000
4
-0.03098
0.04175
0.00000
5
-0.04487
-0.01295
0.00000
6
0.04285
-0.00856
0.00000
7
0.03218
-0.01135
0.00000
8
0.00159
-0.08207
0.00000
9
-0.01075
-0.02685
0.00000
10
-0.03942
-0.05636
0.00000
11
-0.01461
0.02656
0.00000
12
0.00850
0.03059
0.00000
13
0.04111
-0.02159
0.00000
14
0.00466
0.04336
0.00000
15
-0.04063
0.01287
0.00000
16
0.01086
0.03756
0.00000
17
0.05951
-0.01800
0.00000
18
-0.03761
0.00068
0.00000
19
-0.06892
-0.32313
0.00000
20
-0.03247
-0.13485
0.00000
21
0.04342
0.17013
0.00000
22
0.04097
0.23144
0.00000
23
0.10035
0.22951
0.00000
24
-0.11976
0.15127
0.00000
25
-0.02678
0.04007
0.00000
26
0.00103
0.04615
0.00000
27
0.03448
-0.08119
0.00000
28
-0.07387
-0.21540
0.00000
29
-0.16237
-0.06816
0.00000
30
-0.00195
-0.05118
0.00000