Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
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)
0.32400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00026
-0.00015
2
0.00000
-0.00026
-0.00015
3
0.00000
0.00049
-0.00010
4
0.00000
-0.00049
-0.00010
5
0.00000
0.00219
-0.00086
6
0.00000
-0.00219
-0.00086
7
0.00000
-0.00016
0.00011
8
0.00000
0.00016
0.00011
9
0.00000
0.01053
0.01652
10
0.00000
-0.01053
0.01652
11
0.00000
-0.00627
0.00890
12
0.00000
0.00627
0.00890
13
0.00000
-0.02368
-0.04251
14
0.00000
0.02368
-0.04251
15
0.00000
0.02293
0.00143
16
0.00000
-0.02293
0.00143
17
0.00000
0.00344
0.00002
18
0.00000
-0.00344
0.00002
19
0.00000
-0.00125
0.00189
20
0.00000
0.00125
0.00189
21
0.00000
-0.27821
-0.00206
22
0.00000
0.27821
-0.00206
23
0.00000
0.06656
-0.10644
24
0.00000
-0.06656
-0.10644
25
0.00000
0.27110
0.49065
26
0.00000
-0.27110
0.49065
27
0.00000
-0.10866
-0.18427
28
0.00000
0.10866
-0.18427
29
0.00000
-0.03925
0.00057
30
0.00000
0.03925
0.00057
31
0.00000
0.01298
-0.02263
32
0.00000
-0.01298
-0.02263