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)
-0.19100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02585
0.05997
2
0.00000
-0.02585
-0.05997
3
0.00000
0.04722
-0.02835
4
0.00000
0.04722
0.02835
5
0.00000
0.06448
-0.07176
6
0.00000
0.06448
0.07176
7
0.00000
-0.00756
0.01339
8
0.00000
-0.00756
-0.01339
9
0.00000
-0.03345
0.05012
10
0.00000
-0.03345
-0.05012
11
0.00000
-0.05200
-0.01285
12
0.00000
-0.05200
0.01285
13
0.00000
-0.07774
0.05670
14
0.00000
-0.07774
-0.05670
15
0.00000
0.04461
-0.02771
16
0.00000
0.04461
0.02771
17
0.00000
0.00366
-0.00550
18
0.00000
0.00366
0.00550
19
0.00000
-0.00041
0.00162
20
0.00000
-0.00041
-0.00162
21
0.00000
0.05214
0.03989
22
0.00000
0.05214
-0.03989
23
0.00000
0.07469
0.06976
24
0.00000
0.07469
-0.06976
25
0.00000
0.18478
-0.08843
26
0.00000
0.18478
0.08843
27
0.00000
0.12801
-0.03773
28
0.00000
0.12801
0.03773
29
0.00000
0.00412
0.00121
30
0.00000
0.00412
-0.00121
31
0.00000
-0.00293
-0.00095
32
0.00000
-0.00293
0.00095