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)
0.01400
Diff mu Y
(Debye)
0.15500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02802
0.00608
0.00000
2
0.00050
-0.00027
0.00000
3
0.00029
0.00073
0.00000
4
0.00021
0.00035
0.00000
5
0.00005
-0.00067
0.00000
6
0.00022
-0.00014
0.00000
7
0.00219
-0.00111
0.00000
8
-0.00015
0.00009
0.00000
9
-0.00173
0.00052
0.00000
10
-0.00024
-0.00002
0.00000
11
0.00040
0.00065
0.00000
12
-0.00101
-0.00099
0.00000
13
-0.00010
-0.00024
0.00000
14
-0.00013
0.00075
0.00000
15
-0.05310
-0.04212
0.00000
16
-0.01696
0.00908
0.00000
17
0.00862
-0.03172
0.00000
18
-0.00915
-0.00566
0.00000
19
0.32393
-0.07899
0.00000
20
-0.00575
0.00155
0.00000
21
0.02059
-0.00431
0.00000
22
0.00246
-0.00063
0.00000
23
0.00192
-0.00064
0.00000
24
0.00207
0.00224
0.00000
25
0.00215
-0.00840
0.00000
26
0.01149
0.01008
0.00000
27
0.60731
0.48428
0.00000
28
0.19341
-0.07051
0.00000
29
-0.07902
0.36350
0.00000
30
0.08763
0.07203
0.00000