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)
1.04600
Eigenvectors
#
X
Y
Z
1
0.00000
0.09215
0.00632
2
0.00000
-0.09215
0.00632
3
0.00000
-0.06062
-0.00804
4
0.00000
0.06062
-0.00804
5
0.00000
-0.08361
0.00595
6
0.00000
0.08361
0.00595
7
0.00000
0.04933
0.00673
8
0.00000
-0.04933
0.00673
9
0.00000
0.09400
-0.02221
10
0.00000
-0.09400
-0.02221
11
0.00000
0.04419
0.02322
12
0.00000
-0.04419
0.02322
13
0.00000
0.04656
-0.01394
14
0.00000
-0.04656
-0.01394
15
0.00000
-0.02418
-0.00715
16
0.00000
0.02418
-0.00715
17
0.00000
-0.01949
-0.01615
18
0.00000
0.01949
-0.01615
19
0.00000
0.03232
0.01454
20
0.00000
-0.03232
0.01454
21
0.00000
-0.02745
0.01486
22
0.00000
0.02745
0.01486
23
0.00000
-0.07212
-0.05152
24
0.00000
0.07212
-0.05152
25
0.00000
-0.05960
0.04699
26
0.00000
0.05960
0.04699
27
0.00000
-0.10148
0.09555
28
0.00000
0.10148
0.09555
29
0.00000
-0.02092
0.04406
30
0.00000
0.02092
0.04406
31
0.00000
-0.03022
-0.02215
32
0.00000
0.03022
-0.02215