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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.78100
Diff mu Y
(Debye)
-1.27700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00220
-0.01808
0.00000
2
0.01051
-0.00561
0.00000
3
0.03449
0.02185
0.00000
4
-0.03402
0.02981
0.00000
5
-0.03316
0.00456
0.00000
6
0.05326
-0.02575
0.00000
7
-0.02179
0.00108
0.00000
8
0.01429
0.00390
0.00000
9
0.04952
0.04330
0.00000
10
-0.07559
0.03484
0.00000
11
-0.01846
-0.03971
0.00000
12
0.01174
-0.04310
0.00000
13
-0.03572
-0.09092
0.00000
14
0.02860
-0.00684
0.00000
15
0.02672
0.07064
0.00000
16
-0.05169
0.01732
0.00000
17
0.02391
-0.00531
0.00000
18
-0.03225
0.06091
0.00000
19
-0.05244
-0.06233
0.00000
20
0.04193
0.04340
0.00000
21
-0.00832
-0.01920
0.00000
22
0.00924
-0.01497
0.00000
23
-0.02450
-0.19529
0.00000
24
0.11719
-0.19683
0.00000
25
0.05993
0.08587
0.00000
26
0.05166
0.20447
0.00000
27
0.00366
0.02998
0.00000
28
0.13120
0.05941
0.00000
29
0.18195
-0.01628
0.00000
30
0.19373
-0.17415
0.00000
31
0.01513
-0.06655
0.00000
32
0.01177
-0.10063
0.00000