Charge: 2
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+2
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00400
Diff mu Y
(Debye)
-0.13800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06518
0.02621
0.00000
2
0.03734
0.04198
0.00000
3
-0.02540
-0.02127
0.00000
4
0.03508
-0.04272
0.00000
5
-0.10664
0.01303
0.00000
6
0.05070
0.07213
0.00000
7
-0.03650
-0.07744
0.00000
8
0.02969
-0.06758
0.00000
9
-0.09976
-0.01481
0.00000
10
0.02018
0.00766
0.00000
11
0.03524
-0.00113
0.00000
12
0.04366
-0.05179
0.00000
13
-0.03575
0.03053
0.00000
14
0.04734
0.07626
0.00000
15
0.02706
-0.01834
0.00000
16
0.01831
-0.00992
0.00000
17
0.02098
0.02956
0.00000
18
-0.00068
0.03295
0.00000
19
-0.00927
0.00478
0.00000
20
0.01962
-0.02549
0.00000
21
-0.05092
-0.05952
0.00000
22
0.04093
-0.03385
0.00000
23
-0.12354
-0.08353
0.00000
24
0.08471
-0.06663
0.00000
25
0.04365
-0.05353
0.00000
26
-0.01079
0.11048
0.00000
27
0.01761
0.10950
0.00000
28
-0.05857
-0.02500
0.00000
29
-0.04049
-0.00184
0.00000
30
-0.01463
0.04850
0.00000
31
0.02704
0.04768
0.00000
32
0.01333
-0.04721
0.00000