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)
0.15900
Diff mu Y
(Debye)
-0.00400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00872
-0.00039
0.00000
2
0.00244
-0.01728
0.00000
3
-0.04948
0.01103
0.00000
4
-0.03766
-0.01393
0.00000
5
0.03861
0.01375
0.00000
6
0.04604
0.00148
0.00000
7
0.01564
0.03478
0.00000
8
0.02664
-0.02733
0.00000
9
-0.02156
0.02483
0.00000
10
-0.01517
-0.03054
0.00000
11
0.01899
0.03153
0.00000
12
0.01236
-0.01020
0.00000
13
-0.03287
0.01018
0.00000
14
-0.00302
-0.01643
0.00000
15
0.02020
-0.01552
0.00000
16
-0.00818
0.02360
0.00000
17
-0.02950
0.03823
0.00000
18
0.01789
-0.02697
0.00000
19
0.02122
0.01470
0.00000
20
-0.04257
-0.02551
0.00000
21
-0.15865
0.24081
0.00000
22
-0.06729
-0.32546
0.00000
23
0.07622
0.32773
0.00000
24
0.18594
-0.25475
0.00000
25
0.01062
-0.01439
0.00000
26
-0.04191
-0.01319
0.00000
27
0.00271
-0.02186
0.00000
28
-0.02240
0.02160
0.00000
29
0.26223
0.07439
0.00000
30
0.19489
-0.21303
0.00000
31
0.01399
0.21412
0.00000
32
-0.11458
-0.27421
0.00000