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)
-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)
0.04700
Diff mu Y
(Debye)
1.07200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01548
-0.01452
0.00000
2
0.03308
-0.05900
0.00000
3
0.02351
-0.07162
0.00000
4
0.02037
-0.06134
0.00000
5
-0.02766
-0.00036
0.00000
6
-0.01311
0.00523
0.00000
7
0.02805
-0.06104
0.00000
8
-0.07368
0.01849
0.00000
9
-0.03502
0.01685
0.00000
10
0.01819
0.02697
0.00000
11
-0.07135
0.02491
0.00000
12
-0.11011
0.02191
0.00000
13
0.01266
0.03991
0.00000
14
0.02231
0.05078
0.00000
15
0.06518
-0.04597
0.00000
16
0.10207
-0.02898
0.00000
17
0.01696
0.06562
0.00000
18
0.00325
0.06160
0.00000
19
-0.00716
0.01630
0.00000
20
0.02230
-0.10133
0.00000
21
-0.03740
0.00623
0.00000
22
0.02255
0.04561
0.00000
23
-0.04997
0.10169
0.00000
24
0.04053
0.01197
0.00000
25
0.01026
0.04870
0.00000
26
-0.10364
0.01271
0.00000
27
0.02970
0.00136
0.00000
28
0.08636
-0.07605
0.00000
29
-0.05331
0.05058
0.00000
30
0.04910
0.00776
0.00000