Charge: -1
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-1
Electronic States
Energy
(eV)
-691.62999
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03982 b
(cm-1)
0.00842 c
(cm-1)
0.00695
Dipole Moments
mu_x(Debye)
-0.27351 mu_y
(Debye)
0.67795 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.59300
Diff mu Y
(Debye)
-0.52300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05050
0.01558
0.00000
2
-0.04953
0.02289
0.00000
3
0.02212
-0.01898
0.00000
4
0.02996
-0.00912
0.00000
5
0.04305
-0.00520
0.00000
6
0.03545
-0.04733
0.00000
7
0.02177
-0.00737
0.00000
8
-0.00836
0.04231
0.00000
9
-0.04285
0.06230
0.00000
10
-0.08337
-0.01999
0.00000
11
0.03326
0.04164
0.00000
12
-0.01281
-0.05175
0.00000
13
0.04491
-0.03880
0.00000
14
0.02563
0.03554
0.00000
15
-0.02672
-0.01871
0.00000
16
0.01452
0.00754
0.00000
17
0.00717
0.00633
0.00000
18
-0.03698
-0.02872
0.00000
19
-0.05940
-0.00805
0.00000
20
-0.03409
0.10000
0.00000
21
-0.01037
0.21004
0.00000
22
-0.15035
-0.23524
0.00000
23
0.05376
0.26238
0.00000
24
0.23659
-0.23594
0.00000
25
0.24727
0.09707
0.00000
26
0.11392
-0.19864
0.00000
27
-0.06555
0.02669
0.00000
28
0.03422
0.06390
0.00000
29
0.12087
0.02964
0.00000
30
-0.09069
0.02902
0.00000