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)
-0.46000
Diff mu Y
(Debye)
-0.02300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02007
0.00496
0.00000
2
0.00308
-0.00083
0.00000
3
0.00031
0.00085
0.00000
4
0.00022
-0.00016
0.00000
5
-0.00031
-0.00059
0.00000
6
0.00020
-0.00004
0.00000
7
-0.00012
0.00068
0.00000
8
0.00772
-0.00262
0.00000
9
-0.00231
0.00052
0.00000
10
0.00233
-0.00072
0.00000
11
-0.00104
0.00097
0.00000
12
0.00033
0.00079
0.00000
13
0.00211
0.00213
0.00000
14
-0.00019
0.00045
0.00000
15
0.02367
0.01774
0.00000
16
-0.05767
0.01936
0.00000
17
0.00630
-0.01680
0.00000
18
-0.02729
-0.02332
0.00000
19
0.23005
-0.05915
0.00000
20
-0.03547
0.00974
0.00000
21
0.02772
-0.00686
0.00000
22
-0.02759
0.00800
0.00000
23
-0.08778
0.02703
0.00000
24
-0.02445
-0.02416
0.00000
25
0.00159
-0.00546
0.00000
26
-0.00280
-0.00533
0.00000
27
-0.27218
-0.23083
0.00000
28
0.67563
-0.22333
0.00000
29
-0.04531
0.20206
0.00000
30
0.30767
0.26817
0.00000