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)
-0.21900
Diff mu Y
(Debye)
-0.03800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00026
-0.00004
0.00000
2
0.00007
0.00018
0.00000
3
0.00010
-0.00007
0.00000
4
-0.00001
-0.00005
0.00000
5
-0.00054
-0.00339
0.00000
6
0.00048
-0.00088
0.00000
7
-0.00012
-0.00015
0.00000
8
-0.00014
0.00009
0.00000
9
0.03829
-0.01253
0.00000
10
-0.02578
-0.02249
0.00000
11
0.00037
-0.00014
0.00000
12
-0.00199
0.00070
0.00000
13
-0.05513
0.01819
0.00000
14
0.00560
0.00510
0.00000
15
0.00087
0.00252
0.00000
16
0.00046
-0.00329
0.00000
17
0.00078
-0.00009
0.00000
18
-0.00227
-0.00236
0.00000
19
-0.00242
0.00762
0.00000
20
0.01838
-0.00507
0.00000
21
0.00150
0.00125
0.00000
22
0.00161
-0.00049
0.00000
23
-0.45029
0.15224
0.00000
24
0.30271
0.27710
0.00000
25
0.02363
-0.00776
0.00000
26
0.63736
-0.20341
0.00000
27
-0.06548
-0.05723
0.00000
28
-0.00818
0.04081
0.00000
29
0.02380
-0.09792
0.00000
30
0.02854
0.02745
0.00000
31
-0.01106
0.00265
0.00000
32
-0.21327
0.05749
0.00000