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)
0.00000
Diff mu Y
(Debye)
-0.09700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01226
0.03973
0.00000
2
-0.04636
0.04325
0.00000
3
-0.01071
-0.03696
0.00000
4
-0.03372
-0.00768
0.00000
5
0.07960
0.03396
0.00000
6
0.02463
-0.00413
0.00000
7
0.00008
0.00689
0.00000
8
0.01975
0.00571
0.00000
9
-0.06991
0.01425
0.00000
10
0.01112
-0.02663
0.00000
11
-0.04068
-0.04556
0.00000
12
0.01532
-0.03174
0.00000
13
0.02600
0.01640
0.00000
14
0.01999
-0.03645
0.00000
15
-0.04702
0.04466
0.00000
16
-0.02440
0.04042
0.00000
17
0.05642
-0.03402
0.00000
18
-0.00529
0.02363
0.00000
19
-0.03064
-0.00789
0.00000
20
0.06105
-0.00581
0.00000
21
-0.08576
0.10244
0.00000
22
0.01473
-0.01306
0.00000
23
-0.03503
0.13498
0.00000
24
0.21364
-0.25236
0.00000
25
-0.02322
-0.14646
0.00000
26
-0.04117
-0.19990
0.00000
27
0.13597
-0.16394
0.00000
28
-0.10996
0.02481
0.00000
29
-0.32101
-0.07946
0.00000
30
-0.11345
0.14023
0.00000
31
0.06019
-0.03505
0.00000
32
0.09664
0.10653
0.00000