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)
-0.29500
Diff mu Y
(Debye)
-1.24900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03088
-0.07811
0.00000
2
-0.04155
-0.09256
0.00000
3
0.00535
0.06782
0.00000
4
0.03753
0.00133
0.00000
5
0.01986
0.02556
0.00000
6
0.01622
0.04269
0.00000
7
-0.03039
-0.02093
0.00000
8
0.00316
0.03592
0.00000
9
0.00968
-0.02857
0.00000
10
0.02447
0.05857
0.00000
11
0.04012
0.00144
0.00000
12
-0.03476
0.00099
0.00000
13
-0.06654
0.07379
0.00000
14
0.01187
-0.06148
0.00000
15
0.02175
0.00897
0.00000
16
-0.01528
-0.03664
0.00000
17
0.00175
0.01852
0.00000
18
0.00045
-0.00812
0.00000
19
0.04509
0.25301
0.00000
20
0.04888
0.28196
0.00000
21
0.00360
-0.06732
0.00000
22
-0.04677
-0.21483
0.00000
23
-0.06475
-0.19583
0.00000
24
0.20357
-0.20482
0.00000
25
0.05847
-0.06219
0.00000
26
0.01634
-0.06438
0.00000
27
0.02378
0.01093
0.00000
28
0.04141
0.12822
0.00000
29
0.00248
0.02187
0.00000
30
-0.00834
0.00369
0.00000