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)
-0.46700
Diff mu Y
(Debye)
-1.09700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01215
0.00264
0.00000
2
0.00583
-0.00132
0.00000
3
0.00060
0.00096
0.00000
4
-0.00001
-0.00061
0.00000
5
-0.00013
-0.00023
0.00000
6
0.00006
-0.00008
0.00000
7
0.00014
0.00038
0.00000
8
0.02184
-0.00776
0.00000
9
-0.00525
0.00175
0.00000
10
0.00034
0.00005
0.00000
11
-0.00214
0.00187
0.00000
12
0.00904
0.00854
0.00000
13
-0.00221
-0.00261
0.00000
14
-0.00026
0.00070
0.00000
15
0.01562
0.01242
0.00000
16
-0.04700
0.01664
0.00000
17
0.00816
-0.02553
0.00000
18
-0.03639
-0.02964
0.00000
19
0.13535
-0.03543
0.00000
20
-0.06764
0.01886
0.00000
21
0.05882
-0.01669
0.00000
22
-0.00118
0.00046
0.00000
23
-0.25296
0.08021
0.00000
24
0.02544
0.02478
0.00000
25
0.00279
-0.01240
0.00000
26
-0.09600
-0.09183
0.00000
27
-0.18753
-0.16256
0.00000
28
0.56977
-0.18723
0.00000
29
-0.06528
0.29184
0.00000
30
0.40118
0.35013
0.00000