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)
0.09000
Diff mu Y
(Debye)
0.96400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06300
-0.09347
0.00000
2
-0.07948
-0.05014
0.00000
3
0.00503
-0.05207
0.00000
4
0.00033
-0.03172
0.00000
5
0.05421
-0.02882
0.00000
6
-0.07910
0.00244
0.00000
7
-0.00846
-0.01848
0.00000
8
-0.03242
0.03054
0.00000
9
0.09701
0.02535
0.00000
10
-0.08752
0.06659
0.00000
11
0.03095
0.01925
0.00000
12
0.04700
0.05258
0.00000
13
0.03007
0.03403
0.00000
14
0.00118
0.00783
0.00000
15
-0.03679
0.00374
0.00000
16
-0.03109
0.02086
0.00000
17
0.00668
-0.01282
0.00000
18
0.01865
0.01189
0.00000
19
0.04659
-0.15469
0.00000
20
-0.11137
-0.16373
0.00000
21
0.11361
0.07689
0.00000
22
-0.06583
0.15041
0.00000
23
-0.03817
0.02027
0.00000
24
-0.02204
0.09088
0.00000
25
0.05202
0.02265
0.00000
26
0.07417
0.01895
0.00000
27
-0.03803
-0.00032
0.00000
28
-0.01722
0.06190
0.00000
29
0.01656
-0.00978
0.00000
30
-0.00123
0.03439
0.00000