Charge: 2
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+2
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)
1.24200
Diff mu Y
(Debye)
0.88400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03996
-0.01521
0.00000
2
-0.04813
-0.02201
0.00000
3
0.11995
0.02114
0.00000
4
0.08372
-0.00898
0.00000
5
-0.02348
0.01046
0.00000
6
0.01442
0.02831
0.00000
7
-0.04253
0.00875
0.00000
8
-0.03751
-0.03654
0.00000
9
0.01632
-0.03156
0.00000
10
-0.01074
0.02246
0.00000
11
-0.00524
-0.00610
0.00000
12
0.01008
0.06659
0.00000
13
0.03761
-0.01324
0.00000
14
0.03414
-0.02544
0.00000
15
-0.08672
0.03468
0.00000
16
-0.03877
-0.02304
0.00000
17
0.00691
-0.05935
0.00000
18
-0.01767
0.02780
0.00000
19
0.04358
0.02304
0.00000
20
-0.00717
-0.04956
0.00000
21
-0.19697
0.18831
0.00000
22
-0.04487
-0.04902
0.00000
23
0.07968
0.14496
0.00000
24
0.04511
-0.03725
0.00000
25
-0.03820
-0.07636
0.00000
26
0.11361
0.22154
0.00000
27
-0.01061
0.02832
0.00000
28
-0.08447
-0.03382
0.00000
29
-0.01602
0.01076
0.00000
30
-0.01398
0.02631
0.00000
31
0.07416
0.20626
0.00000
32
-0.01231
-0.06071
0.00000