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)
0.15200
Diff mu Y
(Debye)
0.05100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02024
0.07719
0.00000
2
-0.00365
-0.06711
0.00000
3
-0.01877
-0.07170
0.00000
4
-0.00486
0.09408
0.00000
5
-0.00140
-0.05947
0.00000
6
0.00678
0.04375
0.00000
7
0.03338
0.03692
0.00000
8
0.00542
-0.13795
0.00000
9
0.00339
0.03270
0.00000
10
-0.00718
-0.02158
0.00000
11
-0.02197
-0.03407
0.00000
12
-0.03771
0.11428
0.00000
13
0.00610
-0.01903
0.00000
14
0.00655
0.01061
0.00000
15
-0.01648
-0.00103
0.00000
16
0.01886
0.00680
0.00000
17
-0.05262
-0.00057
0.00000
18
0.04526
-0.01517
0.00000
19
-0.02866
-0.12361
0.00000
20
0.03765
0.07952
0.00000
21
-0.01976
-0.04767
0.00000
22
0.00737
0.03259
0.00000
23
0.10244
0.13701
0.00000
24
-0.02142
0.00659
0.00000
25
-0.01663
0.00585
0.00000
26
0.12644
-0.04103
0.00000
27
-0.01999
0.00324
0.00000
28
0.01694
-0.00340
0.00000
29
0.05537
0.02480
0.00000
30
-0.01786
0.06135
0.00000