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)
-0.01500
Diff mu Y
(Debye)
0.03700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02640
0.00193
0.00000
2
-0.06663
-0.00016
0.00000
3
0.01024
0.00114
0.00000
4
-0.06246
0.04084
0.00000
5
-0.02677
-0.02642
0.00000
6
-0.05097
-0.03856
0.00000
7
-0.00389
0.00554
0.00000
8
-0.04512
0.00791
0.00000
9
-0.04313
-0.03656
0.00000
10
-0.06372
-0.04854
0.00000
11
0.08870
0.01529
0.00000
12
0.00179
0.06668
0.00000
13
0.05139
-0.01518
0.00000
14
0.02228
-0.02805
0.00000
15
0.08401
-0.03858
0.00000
16
0.04734
0.02870
0.00000
17
0.06729
0.06701
0.00000
18
0.00039
0.05795
0.00000
19
-0.02189
-0.01043
0.00000
20
0.03291
-0.06048
0.00000
21
-0.00179
0.00312
0.00000
22
-0.06022
-0.03569
0.00000
23
-0.03962
-0.02393
0.00000
24
-0.07101
-0.04140
0.00000
25
0.02019
0.12400
0.00000
26
0.07293
0.05250
0.00000
27
0.06385
-0.07486
0.00000
28
0.09321
0.03823
0.00000
29
-0.08250
-0.02518
0.00000
30
-0.03994
0.10034
0.00000
31
0.08174
0.11564
0.00000
32
0.01830
-0.11402
0.00000