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)
2.09300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01191
-0.05923
2
0.00000
0.01191
-0.05923
3
0.00000
-0.04418
0.12489
4
0.00000
0.04418
0.12489
5
0.00000
0.01250
-0.03630
6
0.00000
-0.01250
-0.03630
7
0.00000
-0.04338
-0.06757
8
0.00000
0.04338
-0.06757
9
0.00000
0.00141
0.01926
10
0.00000
-0.00141
0.01926
11
0.00000
0.07372
0.01348
12
0.00000
-0.07372
0.01348
13
0.00000
-0.00947
0.03310
14
0.00000
0.00947
0.03310
15
0.00000
-0.02679
-0.03799
16
0.00000
0.02679
-0.03799
17
0.00000
-0.00292
-0.00328
18
0.00000
0.00292
-0.00328
19
0.00000
-0.01021
0.00915
20
0.00000
0.01021
0.00915
21
0.00000
-0.02895
-0.05873
22
0.00000
0.02895
-0.05873
23
0.00000
0.01661
-0.02181
24
0.00000
-0.01661
-0.02181
25
0.00000
0.09582
-0.02377
26
0.00000
-0.09582
-0.02377
27
0.00000
-0.07816
0.06900
28
0.00000
0.07816
0.06900
29
0.00000
-0.00586
0.02858
30
0.00000
0.00586
0.02858
31
0.00000
0.07497
0.06013
32
0.00000
-0.07497
0.06013