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)
0.17200
Diff mu Y
(Debye)
1.64400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00382
0.00567
0.00000
2
-0.08616
-0.03412
0.00000
3
0.01944
0.03840
0.00000
4
-0.01386
-0.00284
0.00000
5
0.00107
-0.03445
0.00000
6
0.00598
-0.02457
0.00000
7
-0.01697
-0.00040
0.00000
8
0.03424
-0.00026
0.00000
9
-0.00098
0.02409
0.00000
10
0.02658
-0.01040
0.00000
11
0.00415
-0.00179
0.00000
12
-0.00392
-0.02076
0.00000
13
-0.00218
0.00288
0.00000
14
-0.02259
0.02722
0.00000
15
0.00719
-0.07379
0.00000
16
0.04388
0.00770
0.00000
17
-0.00131
-0.01655
0.00000
18
-0.00990
0.01439
0.00000
19
-0.00434
0.00069
0.00000
20
-0.00809
0.02856
0.00000
21
0.02075
-0.04588
0.00000
22
0.08305
0.13786
0.00000
23
0.07623
0.25138
0.00000
24
0.12941
-0.12877
0.00000
25
-0.06842
-0.20551
0.00000
26
0.08516
0.27937
0.00000
27
-0.25518
0.29420
0.00000
28
0.36416
0.07245
0.00000
29
0.08502
0.02291
0.00000
30
-0.13619
0.14915
0.00000
31
-0.04374
-0.19175
0.00000
32
0.03566
0.20215
0.00000