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)
0.03500
Diff mu Y
(Debye)
-0.09600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03068
0.03181
0.00000
2
-0.02472
-0.03819
0.00000
3
-0.04141
0.02735
0.00000
4
-0.08173
-0.05148
0.00000
5
0.03050
0.03526
0.00000
6
0.01390
-0.03403
0.00000
7
0.05302
0.05347
0.00000
8
-0.07491
-0.09319
0.00000
9
0.04203
0.05389
0.00000
10
0.03280
-0.03777
0.00000
11
0.05643
0.05658
0.00000
12
0.02804
-0.05896
0.00000
13
0.03856
0.05506
0.00000
14
0.02093
-0.01083
0.00000
15
0.04659
-0.00399
0.00000
16
-0.02930
-0.02600
0.00000
17
-0.05410
0.00066
0.00000
18
-0.01823
0.06017
0.00000
19
-0.04537
-0.02496
0.00000
20
-0.01024
0.01663
0.00000
21
0.04150
0.05029
0.00000
22
0.03589
-0.02719
0.00000
23
-0.09253
-0.14832
0.00000
24
0.01532
0.07987
0.00000
25
-0.02956
-0.02218
0.00000
26
0.10823
-0.14679
0.00000
27
0.08833
-0.05398
0.00000
28
-0.04443
-0.07025
0.00000
29
-0.09277
-0.00604
0.00000
30
-0.06620
0.11662
0.00000