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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
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)
1.10500
Eigenvectors
#
X
Y
Z
1
0.00000
0.10172
0.00104
2
0.00000
-0.10172
0.00105
3
0.00000
-0.06282
-0.00854
4
0.00000
0.06282
-0.00854
5
0.00000
-0.08248
0.01687
6
0.00000
0.08248
0.01686
7
0.00000
0.04736
0.01302
8
0.00000
-0.04736
0.01301
9
0.00000
0.07413
-0.02522
10
0.00000
-0.07413
-0.02522
11
0.00000
0.04281
0.01851
12
0.00000
-0.04281
0.01851
13
0.00000
0.05149
-0.02399
14
0.00000
-0.05148
-0.02399
15
0.00000
-0.02687
0.00625
16
0.00000
0.02687
0.00625
17
0.00000
-0.01948
-0.02280
18
0.00000
0.01948
-0.02279
19
0.00000
0.03323
0.01674
20
0.00000
-0.03322
0.01673
21
0.00000
-0.03139
-0.00506
22
0.00000
0.03139
-0.00506
23
0.00000
-0.08006
-0.05924
24
0.00000
0.08006
-0.05924
25
0.00000
-0.08110
0.04909
26
0.00000
0.08109
0.04909
27
0.00000
-0.09184
0.07068
28
0.00000
0.09183
0.07068
29
0.00000
-0.01909
0.05889
30
0.00000
0.01909
0.05888
31
0.00000
-0.02949
-0.01776
32
0.00000
0.02948
-0.01775