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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.24700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00215
2
0.00000
0.00000
0.00120
3
0.00000
0.00000
-0.01447
4
0.00000
0.00000
0.01954
5
0.00000
0.00000
-0.00362
6
0.00000
0.00000
0.01028
7
0.00000
0.00000
0.05054
8
0.00000
0.00000
-0.06056
9
0.00000
0.00000
0.04953
10
0.00000
0.00000
-0.05399
11
0.00000
0.00000
0.01940
12
0.00000
0.00000
-0.00786
13
0.00000
0.00000
-0.02056
14
0.00000
0.00000
0.01826
15
0.00000
0.00000
0.02313
16
0.00000
0.00000
-0.02362
17
0.00000
0.00000
-0.06088
18
0.00000
0.00000
0.05804
19
0.00000
0.00000
0.03842
20
0.00000
0.00000
-0.07499
21
0.00000
0.00000
-0.21298
22
0.00000
0.00000
0.28970
23
0.00000
0.00000
-0.23612
24
0.00000
0.00000
0.26051
25
0.00000
0.00000
0.03790
26
0.00000
0.00000
0.09948
27
0.00000
0.00000
-0.10388
28
0.00000
0.00000
0.14491
29
0.00000
0.00000
-0.22623
30
0.00000
0.00000
-0.29098
31
0.00000
0.00000
0.25847
32
0.00000
0.00000
0.38860