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)
-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)
-1.66600
Diff mu Y
(Debye)
-0.85300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01601
0.00808
0.00000
2
-0.04467
-0.00397
0.00000
3
-0.00230
0.01811
0.00000
4
0.03043
-0.01652
0.00000
5
-0.01686
-0.02601
0.00000
6
0.04567
-0.00540
0.00000
7
0.00654
-0.01658
0.00000
8
-0.00562
0.01447
0.00000
9
0.01449
0.03837
0.00000
10
-0.01475
-0.01398
0.00000
11
-0.02669
-0.07432
0.00000
12
-0.01656
0.00902
0.00000
13
-0.00493
-0.00472
0.00000
14
-0.04814
0.02794
0.00000
15
0.01556
0.06896
0.00000
16
0.04852
-0.00679
0.00000
17
0.02005
0.11630
0.00000
18
0.00899
-0.08342
0.00000
19
0.06378
0.07120
0.00000
20
-0.05354
-0.11022
0.00000
21
-0.04156
0.03849
0.00000
22
-0.02140
-0.03098
0.00000
23
-0.02277
-0.07347
0.00000
24
-0.00978
-0.02410
0.00000
25
-0.02562
-0.01034
0.00000
26
-0.00111
0.01591
0.00000
27
0.04874
-0.08436
0.00000
28
-0.07255
-0.03367
0.00000
29
-0.11756
0.04070
0.00000
30
-0.12862
0.04857
0.00000
31
-0.05980
-0.19310
0.00000
32
0.02391
0.18110
0.00000