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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.28900
Diff mu Y
(Debye)
0.12900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00685
0.03217
0.00000
2
0.09733
-0.00307
0.00000
3
-0.03161
0.01101
0.00000
4
-0.06356
0.04947
0.00000
5
-0.02493
0.02783
0.00000
6
-0.05937
-0.11790
0.00000
7
0.00293
0.00049
0.00000
8
0.01999
-0.00057
0.00000
9
-0.00607
0.00838
0.00000
10
0.02655
-0.00226
0.00000
11
-0.03145
-0.03486
0.00000
12
-0.04377
-0.08807
0.00000
13
0.00253
-0.02013
0.00000
14
-0.05463
0.08929
0.00000
15
0.03274
-0.01040
0.00000
16
0.08937
0.02431
0.00000
17
0.00664
-0.00372
0.00000
18
0.00975
0.00358
0.00000
19
0.00042
-0.00313
0.00000
20
-0.01013
0.01319
0.00000
21
0.11398
-0.12405
0.00000
22
0.05587
0.10558
0.00000
23
0.03840
0.14501
0.00000
24
0.12542
-0.11268
0.00000
25
0.01959
0.11281
0.00000
26
-0.01197
-0.06946
0.00000
27
0.01056
0.01792
0.00000
28
0.00011
0.00852
0.00000
29
-0.02569
-0.00849
0.00000
30
-0.01071
0.02691
0.00000
31
0.04844
0.14409
0.00000
32
-0.00180
0.04441
0.00000