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)
0.15900
Diff mu Y
(Debye)
0.19000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02490
-0.03295
0.00000
2
0.06431
-0.06167
0.00000
3
-0.07767
0.11717
0.00000
4
-0.01843
-0.01822
0.00000
5
0.02797
-0.02666
0.00000
6
-0.00827
-0.02282
0.00000
7
-0.02334
0.09908
0.00000
8
0.03746
-0.00090
0.00000
9
-0.05677
0.01096
0.00000
10
-0.06205
0.03403
0.00000
11
-0.01168
-0.00328
0.00000
12
0.01449
0.01046
0.00000
13
0.03180
0.02176
0.00000
14
0.02163
-0.01314
0.00000
15
-0.00278
-0.02128
0.00000
16
0.08319
-0.04193
0.00000
17
-0.00530
0.03916
0.00000
18
-0.05446
-0.05629
0.00000
19
-0.03534
-0.24532
0.00000
20
0.05415
-0.09658
0.00000
21
-0.05813
0.00504
0.00000
22
-0.04528
0.09272
0.00000
23
0.04186
0.01389
0.00000
24
0.07411
-0.02660
0.00000
25
0.07180
0.00068
0.00000
26
-0.03765
0.07175
0.00000
27
0.04321
-0.06670
0.00000
28
0.07031
-0.08243
0.00000
29
0.01286
0.03920
0.00000
30
-0.01349
-0.10454
0.00000