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)
0.32400
Diff mu Y
(Debye)
0.18400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00699
-0.00119
0.00000
2
-0.03937
0.01081
0.00000
3
-0.00027
-0.00061
0.00000
4
-0.00079
-0.00211
0.00000
5
-0.00006
0.00018
0.00000
6
0.00038
0.00223
0.00000
7
-0.00066
0.00039
0.00000
8
0.02927
-0.01042
0.00000
9
-0.00372
0.00087
0.00000
10
0.00647
-0.00217
0.00000
11
-0.00156
-0.00003
0.00000
12
-0.00278
-0.00093
0.00000
13
0.00783
0.00773
0.00000
14
0.00101
-0.00652
0.00000
15
-0.00054
-0.00056
0.00000
16
0.02076
-0.00776
0.00000
17
-0.00784
0.03671
0.00000
18
-0.02986
-0.02671
0.00000
19
-0.07480
0.01949
0.00000
20
0.46339
-0.12698
0.00000
21
0.04784
-0.01388
0.00000
22
-0.07272
0.01925
0.00000
23
-0.34228
0.11070
0.00000
24
-0.09343
-0.09024
0.00000
25
-0.01802
0.07464
0.00000
26
0.03993
0.03372
0.00000
27
0.01894
0.01610
0.00000
28
-0.25150
0.08392
0.00000
29
0.09263
-0.44689
0.00000
30
0.36522
0.32115
0.00000