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)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.18900
Diff mu Y
(Debye)
-3.59800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00008
-0.05992
0.00000
2
-0.00879
-0.04301
0.00000
3
0.03398
0.00081
0.00000
4
-0.06864
0.02498
0.00000
5
-0.06707
0.02647
0.00000
6
0.06915
-0.01805
0.00000
7
0.06176
0.03571
0.00000
8
0.01355
0.05283
0.00000
9
0.01382
0.06211
0.00000
10
0.02660
0.06209
0.00000
11
-0.09150
-0.07782
0.00000
12
0.04355
-0.03090
0.00000
13
0.03614
-0.04649
0.00000
14
-0.05817
-0.02462
0.00000
15
-0.02908
0.04714
0.00000
16
-0.00691
-0.05298
0.00000
17
0.05153
0.00058
0.00000
18
-0.03134
0.05512
0.00000
19
0.03203
0.06923
0.00000
20
-0.03555
-0.14356
0.00000
21
-0.01805
-0.03998
0.00000
22
-0.00568
-0.06458
0.00000
23
0.00975
0.05231
0.00000
24
-0.01354
0.00308
0.00000
25
0.01431
-0.00890
0.00000
26
0.11695
-0.11499
0.00000
27
0.04640
-0.04300
0.00000
28
0.02709
0.03764
0.00000
29
0.02876
-0.00476
0.00000
30
-0.06564
0.09025
0.00000