Charge: 1
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+1
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)
0.29500
Diff mu Y
(Debye)
-1.75600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06243
0.07894
0.00000
2
0.07516
-0.08683
0.00000
3
0.05508
-0.04303
0.00000
4
-0.04504
0.06298
0.00000
5
0.03643
-0.04283
0.00000
6
-0.06928
0.05814
0.00000
7
-0.04838
0.06522
0.00000
8
0.00826
-0.06030
0.00000
9
-0.01040
0.04969
0.00000
10
0.05209
-0.06131
0.00000
11
-0.03677
0.00178
0.00000
12
0.01517
-0.02585
0.00000
13
-0.01293
0.00612
0.00000
14
0.05513
-0.04361
0.00000
15
0.02542
0.00904
0.00000
16
-0.04763
0.01400
0.00000
17
0.01697
0.00230
0.00000
18
-0.02128
0.00895
0.00000
19
0.03071
0.00934
0.00000
20
-0.01752
-0.01945
0.00000
21
0.07688
-0.08747
0.00000
22
0.05638
0.07466
0.00000
23
-0.04641
-0.04825
0.00000
24
-0.07582
0.08735
0.00000
25
0.03595
0.02220
0.00000
26
-0.01206
0.01548
0.00000
27
-0.06411
0.09678
0.00000
28
0.05050
0.03825
0.00000
29
-0.03074
-0.00474
0.00000
30
0.01059
-0.02717
0.00000
31
0.01816
-0.00356
0.00000
32
-0.00435
0.03531
0.00000