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)
0.51500
Diff mu Y
(Debye)
0.95700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04916
-0.01347
0.00000
2
-0.09036
-0.03296
0.00000
3
0.01765
0.02412
0.00000
4
0.00595
-0.03765
0.00000
5
0.00542
-0.00518
0.00000
6
-0.02231
0.03827
0.00000
7
0.00959
-0.02394
0.00000
8
0.01642
0.02380
0.00000
9
0.01032
0.02265
0.00000
10
0.02557
-0.01726
0.00000
11
0.01188
0.00911
0.00000
12
-0.01576
-0.00201
0.00000
13
0.00663
0.00288
0.00000
14
-0.01188
0.01370
0.00000
15
-0.01431
-0.02681
0.00000
16
0.02905
-0.00232
0.00000
17
-0.00258
0.01465
0.00000
18
-0.00219
-0.01422
0.00000
19
-0.01032
0.00163
0.00000
20
0.00307
0.00574
0.00000
21
0.16287
-0.20442
0.00000
22
0.13133
0.37063
0.00000
23
0.08575
0.24240
0.00000
24
0.26799
-0.28837
0.00000
25
-0.08255
-0.19035
0.00000
26
0.02767
0.06078
0.00000
27
-0.11741
0.12849
0.00000
28
0.40948
0.07132
0.00000
29
-0.05431
-0.00832
0.00000
30
0.05899
-0.07949
0.00000
31
-0.00567
0.00187
0.00000
32
0.03626
0.12499
0.00000