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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.07800
Diff mu Y
(Debye)
0.02200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01146
-0.01394
0.00000
2
-0.01135
-0.04052
0.00000
3
-0.02456
0.01524
0.00000
4
-0.01607
-0.05374
0.00000
5
-0.00397
0.00612
0.00000
6
0.01029
-0.06899
0.00000
7
-0.03734
-0.02108
0.00000
8
-0.03841
-0.03038
0.00000
9
0.01716
-0.03238
0.00000
10
0.01630
-0.04313
0.00000
11
-0.00721
0.05302
0.00000
12
0.00791
-0.06132
0.00000
13
0.00456
0.03614
0.00000
14
0.02303
-0.08121
0.00000
15
-0.00899
0.07073
0.00000
16
0.02715
-0.08385
0.00000
17
-0.00646
0.06695
0.00000
18
0.01665
0.08127
0.00000
19
0.02015
0.10071
0.00000
20
0.01423
0.09801
0.00000
21
-0.02368
-0.03631
0.00000
22
-0.03213
-0.01202
0.00000
23
0.00828
-0.05768
0.00000
24
0.00136
-0.02673
0.00000
25
0.01651
-0.03767
0.00000
26
-0.00077
0.02311
0.00000
27
0.02336
-0.08261
0.00000
28
0.03761
-0.08234
0.00000
29
0.02579
0.10286
0.00000
30
0.03276
0.06527
0.00000
31
-0.00680
0.05989
0.00000
32
0.01738
0.11219
0.00000