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)
0.16700
Diff mu Y
(Debye)
0.03700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01272
0.01037
0.00000
2
-0.00541
-0.02861
0.00000
3
-0.02867
-0.00506
0.00000
4
0.01236
0.02499
0.00000
5
0.00327
0.01760
0.00000
6
0.00212
-0.01104
0.00000
7
0.05785
-0.04963
0.00000
8
-0.01033
0.01731
0.00000
9
-0.00063
-0.05763
0.00000
10
0.02800
0.04688
0.00000
11
-0.05194
0.07581
0.00000
12
0.02906
-0.04096
0.00000
13
-0.01139
0.05087
0.00000
14
-0.03521
-0.03712
0.00000
15
-0.06463
0.09653
0.00000
16
0.02120
-0.08315
0.00000
17
-0.07325
0.03605
0.00000
18
0.08766
-0.08326
0.00000
19
0.01307
0.00391
0.00000
20
0.01478
0.03851
0.00000
21
0.03745
0.06090
0.00000
22
0.00137
-0.06555
0.00000
23
-0.01579
0.00988
0.00000
24
0.07579
-0.02956
0.00000
25
0.07942
-0.01389
0.00000
26
-0.06465
0.05534
0.00000
27
0.11541
-0.11026
0.00000
28
0.08249
0.08326
0.00000
29
0.07944
0.07470
0.00000
30
-0.09470
0.13139
0.00000