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)
0.06200
Diff mu Y
(Debye)
-0.59600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00047
-0.02307
0.00000
2
0.01007
0.00133
0.00000
3
0.00287
0.01590
0.00000
4
-0.03484
0.01831
0.00000
5
-0.01596
0.01737
0.00000
6
0.01038
-0.00174
0.00000
7
0.05971
-0.02889
0.00000
8
0.02795
-0.04052
0.00000
9
0.00670
-0.01568
0.00000
10
-0.00094
-0.00948
0.00000
11
-0.02028
0.01200
0.00000
12
-0.04263
0.05743
0.00000
13
-0.01012
0.01872
0.00000
14
-0.00380
-0.00534
0.00000
15
-0.04663
0.01905
0.00000
16
-0.02153
0.01729
0.00000
17
0.10831
0.04011
0.00000
18
0.00797
-0.07400
0.00000
19
0.01818
0.05121
0.00000
20
-0.01157
-0.08991
0.00000
21
0.02440
0.04932
0.00000
22
0.01286
0.03733
0.00000
23
0.05780
0.04189
0.00000
24
0.05405
-0.04526
0.00000
25
0.06381
0.01116
0.00000
26
0.17620
-0.18521
0.00000
27
0.02781
-0.08461
0.00000
28
-0.09741
-0.18363
0.00000
29
-0.48203
-0.08402
0.00000
30
-0.28171
0.25810
0.00000