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)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.68900
Diff mu Y
(Debye)
2.01800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04687
0.03797
0.00000
2
0.00943
0.09265
0.00000
3
-0.12790
-0.03411
0.00000
4
0.10160
-0.05220
0.00000
5
0.01927
-0.02101
0.00000
6
-0.05149
-0.02948
0.00000
7
0.05123
0.01166
0.00000
8
-0.02109
-0.03206
0.00000
9
0.01067
0.04916
0.00000
10
0.02759
-0.00558
0.00000
11
-0.00122
-0.02479
0.00000
12
-0.00586
0.03087
0.00000
13
0.00403
-0.01252
0.00000
14
-0.04980
-0.00726
0.00000
15
-0.02880
0.04581
0.00000
16
-0.01201
-0.06323
0.00000
17
0.04709
0.00098
0.00000
18
-0.05170
0.03906
0.00000
19
0.06390
0.08084
0.00000
20
-0.03018
-0.05065
0.00000
21
-0.05915
-0.20524
0.00000
22
0.03271
0.01021
0.00000
23
-0.02685
-0.05689
0.00000
24
0.06775
-0.07820
0.00000
25
0.15227
0.04153
0.00000
26
0.03380
-0.00860
0.00000
27
0.00968
0.00061
0.00000
28
0.03922
0.07755
0.00000
29
0.02531
-0.00668
0.00000
30
0.07351
-0.11316
0.00000