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)
-0.26500
Diff mu Y
(Debye)
-0.67300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04734
-0.01141
0.00000
2
-0.00248
0.00011
0.00000
3
-0.00089
-0.00205
0.00000
4
0.00022
0.00117
0.00000
5
0.00067
0.00122
0.00000
6
0.00016
0.00033
0.00000
7
0.00070
-0.00004
0.00000
8
-0.03042
0.01144
0.00000
9
0.01171
-0.00376
0.00000
10
0.01059
-0.00272
0.00000
11
0.00059
-0.00061
0.00000
12
-0.03059
-0.03095
0.00000
13
0.00265
0.00322
0.00000
14
0.00176
-0.00801
0.00000
15
-0.00825
-0.00776
0.00000
16
-0.00935
0.00449
0.00000
17
0.00428
-0.01561
0.00000
18
-0.02073
-0.01601
0.00000
19
-0.55203
0.14696
0.00000
20
0.02326
-0.00738
0.00000
21
-0.13742
0.03758
0.00000
22
-0.12558
0.03537
0.00000
23
0.34740
-0.11129
0.00000
24
-0.03352
-0.03331
0.00000
25
-0.02385
0.09538
0.00000
26
0.36521
0.33798
0.00000
27
0.09590
0.08252
0.00000
28
0.11828
-0.03983
0.00000
29
-0.04077
0.17425
0.00000
30
0.22533
0.19786
0.00000