Charge: 0
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
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)
-0.10300
Diff mu Y
(Debye)
0.22700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02709
-0.01407
0.00000
2
-0.01049
-0.00109
0.00000
3
-0.03205
0.02737
0.00000
4
0.04090
0.01168
0.00000
5
0.05392
0.02403
0.00000
6
-0.01994
0.02172
0.00000
7
0.06119
-0.00102
0.00000
8
-0.04917
-0.08204
0.00000
9
-0.04035
-0.06011
0.00000
10
0.04324
-0.00421
0.00000
11
-0.00857
0.03416
0.00000
12
-0.00254
0.04983
0.00000
13
-0.02125
0.00963
0.00000
14
-0.03130
0.01037
0.00000
15
0.05097
-0.01581
0.00000
16
0.04190
-0.02693
0.00000
17
-0.02447
-0.07477
0.00000
18
0.03036
0.00914
0.00000
19
0.00393
0.03309
0.00000
20
-0.03516
-0.04681
0.00000
21
-0.11276
0.20575
0.00000
22
0.06514
0.26843
0.00000
23
0.03981
0.18111
0.00000
24
-0.09886
0.15610
0.00000
25
-0.06450
-0.13417
0.00000
26
-0.03104
-0.02522
0.00000
27
0.03253
-0.06676
0.00000
28
-0.12741
-0.06616
0.00000
29
0.01433
0.04363
0.00000
30
-0.09089
0.14284
0.00000
31
0.05608
0.23054
0.00000
32
0.03149
0.20505
0.00000