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)
0.15500
Diff mu Y
(Debye)
-0.11400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03913
-0.07118
0.00000
2
-0.04084
-0.03981
0.00000
3
-0.02159
-0.06845
0.00000
4
-0.02984
0.00427
0.00000
5
-0.00048
0.02939
0.00000
6
-0.00700
0.01591
0.00000
7
0.06042
0.03489
0.00000
8
0.02410
0.01446
0.00000
9
0.02188
-0.01542
0.00000
10
0.00811
-0.02458
0.00000
11
-0.04550
-0.01058
0.00000
12
-0.02073
-0.01140
0.00000
13
0.07508
0.05478
0.00000
14
0.04830
0.07136
0.00000
15
0.00268
0.04192
0.00000
16
-0.00457
-0.02942
0.00000
17
-0.05472
0.03528
0.00000
18
0.07255
0.07018
0.00000
19
0.01787
-0.10481
0.00000
20
-0.06049
-0.00569
0.00000
21
0.01990
0.08343
0.00000
22
-0.00003
-0.06485
0.00000
23
0.00759
-0.05840
0.00000
24
0.01751
-0.03364
0.00000
25
-0.01053
0.01987
0.00000
26
0.09115
0.10072
0.00000
27
0.01971
0.10612
0.00000
28
-0.09270
-0.04597
0.00000
29
-0.03976
-0.11876
0.00000
30
0.03291
0.11063
0.00000
31
-0.07607
-0.04556
0.00000
32
-0.04241
0.05259
0.00000