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)
0.04200
Diff mu Y
(Debye)
0.23000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05760
-0.04957
0.00000
2
-0.02063
-0.09332
0.00000
3
0.11026
0.07396
0.00000
4
-0.05706
0.04777
0.00000
5
-0.04192
-0.00501
0.00000
6
0.07614
0.01907
0.00000
7
-0.07042
-0.03235
0.00000
8
0.01334
-0.00059
0.00000
9
0.00443
-0.06140
0.00000
10
-0.03854
0.00633
0.00000
11
0.01379
0.01780
0.00000
12
-0.00962
0.00584
0.00000
13
0.00100
0.03094
0.00000
14
0.04103
0.00670
0.00000
15
0.03142
-0.02566
0.00000
16
0.00882
0.04834
0.00000
17
-0.03137
-0.00001
0.00000
18
0.03648
-0.03171
0.00000
19
-0.03908
0.05407
0.00000
20
0.03244
0.10299
0.00000
21
0.10277
0.27657
0.00000
22
-0.02189
0.07623
0.00000
23
0.02857
0.04902
0.00000
24
-0.03637
0.07350
0.00000
25
-0.16524
-0.04051
0.00000
26
0.04246
-0.04755
0.00000
27
0.07625
-0.07588
0.00000
28
-0.02175
-0.04200
0.00000
29
-0.04769
-0.00210
0.00000
30
-0.06416
0.08589
0.00000