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)
0.27700
Diff mu Y
(Debye)
-0.99700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00141
0.02708
0.00000
2
-0.02841
0.04740
0.00000
3
-0.03025
-0.04373
0.00000
4
-0.03144
0.00143
0.00000
5
0.05950
0.02498
0.00000
6
0.02978
-0.00079
0.00000
7
0.01816
0.02041
0.00000
8
0.01495
-0.00625
0.00000
9
-0.05274
0.03091
0.00000
10
0.00266
-0.04276
0.00000
11
-0.04625
-0.01944
0.00000
12
0.01842
-0.03768
0.00000
13
0.02566
0.00816
0.00000
14
0.01010
-0.03628
0.00000
15
-0.04037
0.05040
0.00000
16
-0.01797
0.04034
0.00000
17
0.05565
-0.03795
0.00000
18
-0.01585
0.02544
0.00000
19
-0.03059
-0.01438
0.00000
20
0.07707
-0.00845
0.00000
21
-0.07208
0.12485
0.00000
22
-0.02453
-0.12722
0.00000
23
-0.00143
0.20311
0.00000
24
0.19048
-0.25887
0.00000
25
-0.02158
-0.15497
0.00000
26
-0.03539
-0.18073
0.00000
27
0.10663
-0.14398
0.00000
28
-0.08699
0.02978
0.00000
29
-0.28696
-0.07702
0.00000
30
-0.16695
0.18653
0.00000
31
0.05193
-0.05745
0.00000
32
0.11505
0.11268
0.00000