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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.04100
Diff mu Y
(Debye)
0.17900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00189
0.04139
0.00000
2
0.01260
0.03720
0.00000
3
-0.00346
-0.04989
0.00000
4
-0.02447
-0.06192
0.00000
5
-0.00871
-0.05153
0.00000
6
-0.02298
-0.05309
0.00000
7
-0.00165
0.03887
0.00000
8
0.02434
0.00964
0.00000
9
0.01172
0.02769
0.00000
10
0.01094
0.03577
0.00000
11
-0.03978
0.03741
0.00000
12
0.01905
-0.00058
0.00000
13
0.02162
-0.03049
0.00000
14
-0.03984
-0.01545
0.00000
15
0.01003
-0.03108
0.00000
16
0.00277
0.02287
0.00000
17
-0.01279
-0.00469
0.00000
18
0.00109
-0.02220
0.00000
19
0.04292
0.19859
0.00000
20
0.09244
0.33275
0.00000
21
0.08134
0.27015
0.00000
22
0.09696
0.35096
0.00000
23
0.04430
0.06047
0.00000
24
0.18117
-0.19084
0.00000
25
-0.30525
-0.08084
0.00000
26
0.03333
-0.01092
0.00000
27
0.09310
-0.12656
0.00000
28
0.05396
0.17992
0.00000
29
-0.06153
-0.01536
0.00000
30
0.09544
-0.13405
0.00000