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)
0.00800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01927
-0.06620
2
0.00000
0.01927
0.06620
3
0.00000
0.02089
0.01656
4
0.00000
0.02089
-0.01656
5
0.00000
-0.03709
-0.03251
6
0.00000
-0.03709
0.03251
7
0.00000
-0.06011
0.08000
8
0.00000
-0.06011
-0.08000
9
0.00000
0.00633
0.02946
10
0.00000
0.00633
-0.02946
11
0.00000
0.01609
0.03140
12
0.00000
0.01609
-0.03140
13
0.00000
0.00235
0.01503
14
0.00000
0.00235
-0.01503
15
0.00000
-0.01438
-0.00084
16
0.00000
-0.01438
0.00084
17
0.00000
0.02444
-0.01741
18
0.00000
0.02444
0.01741
19
0.00000
0.01366
-0.00418
20
0.00000
0.01366
0.00418
21
0.00000
-0.01334
-0.07946
22
0.00000
-0.01334
0.07946
23
0.00000
-0.12133
-0.05686
24
0.00000
-0.12133
0.05686
25
0.00000
0.21107
-0.09799
26
0.00000
0.21107
0.09799
27
0.00000
-0.01626
0.04336
28
0.00000
-0.01626
-0.04336
29
0.00000
0.02436
-0.39649
30
0.00000
0.02436
0.39649
31
0.00000
0.01745
-0.00414
32
0.00000
0.01745
0.00414