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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.36200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02971
2
0.00000
0.00000
0.02948
3
0.00000
0.00000
-0.00775
4
0.00000
0.00000
-0.01057
5
0.00000
0.00000
-0.02965
6
0.00000
0.00000
-0.02846
7
0.00000
0.00000
0.00041
8
0.00000
0.00000
0.00462
9
0.00000
0.00000
0.08741
10
0.00000
0.00000
0.08700
11
0.00000
0.00000
-0.00656
12
0.00000
0.00000
0.00485
13
0.00000
0.00000
-0.05978
14
0.00000
0.00000
-0.05976
15
0.00000
0.00000
0.01631
16
0.00000
0.00000
-0.01491
17
0.00000
0.00000
-0.01234
18
0.00000
0.00000
0.01896
19
0.00000
0.00000
-0.13564
20
0.00000
0.00000
-0.13357
21
0.00000
0.00000
-0.44037
22
0.00000
0.00000
-0.44391
23
0.00000
0.00000
-0.01794
24
0.00000
0.00000
0.32005
25
0.00000
0.00000
0.32978
26
0.00000
0.00000
-0.02764
27
0.00000
0.00000
-0.09132
28
0.00000
0.00000
0.08575
29
0.00000
0.00000
0.07098
30
0.00000
0.00000
-0.09943