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)
-0.18100
Diff mu Y
(Debye)
-1.13100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00374
0.00090
0.00000
2
0.00186
-0.00052
0.00000
3
0.00005
0.00002
0.00000
4
-0.00002
-0.00009
0.00000
5
0.00034
0.00109
0.00000
6
0.00027
0.00120
0.00000
7
-0.00016
0.00013
0.00000
8
0.00119
-0.00039
0.00000
9
-0.02262
0.00916
0.00000
10
0.02497
-0.00411
0.00000
11
-0.00010
0.00003
0.00000
12
0.00046
0.00051
0.00000
13
-0.03932
-0.03927
0.00000
14
0.01317
-0.05421
0.00000
15
0.00225
0.00207
0.00000
16
0.00313
-0.00103
0.00000
17
0.00050
-0.00283
0.00000
18
-0.00076
-0.00051
0.00000
19
0.04299
-0.01208
0.00000
20
-0.02179
0.00490
0.00000
21
0.24762
-0.07236
0.00000
22
-0.25900
0.06924
0.00000
23
-0.01293
0.00398
0.00000
24
0.43615
0.43325
0.00000
25
-0.14781
0.59883
0.00000
26
-0.00554
-0.00557
0.00000
27
-0.02583
-0.02219
0.00000
28
-0.03411
0.01120
0.00000
29
-0.00617
0.03073
0.00000
30
0.00722
0.00604
0.00000