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)
-0.12500
Eigenvectors
#
X
Y
Z
1
0.00000
0.02090
0.04740
2
0.00000
-0.02090
0.04740
3
0.00000
0.01777
0.02037
4
0.00000
-0.01777
0.02037
5
0.00000
0.07815
0.03987
6
0.00000
-0.07815
0.03987
7
0.00000
0.00521
-0.00710
8
0.00000
-0.00521
-0.00710
9
0.00000
0.01263
0.01635
10
0.00000
-0.01263
0.01635
11
0.00000
0.03460
0.00116
12
0.00000
-0.03460
0.00116
13
0.00000
0.11165
0.00622
14
0.00000
-0.11165
0.00622
15
0.00000
0.08917
-0.01977
16
0.00000
-0.08917
-0.01977
17
0.00000
-0.01419
-0.03683
18
0.00000
0.01419
-0.03683
19
0.00000
-0.00068
-0.05585
20
0.00000
0.00068
-0.05585
21
0.00000
0.09184
-0.06257
22
0.00000
-0.09184
-0.06257
23
0.00000
0.00088
-0.02266
24
0.00000
-0.00088
-0.02266
25
0.00000
0.13970
-0.00716
26
0.00000
-0.13970
-0.00716
27
0.00000
-0.02846
0.04261
28
0.00000
0.02846
0.04261
29
0.00000
-0.01288
-0.04098
30
0.00000
0.01288
-0.04098
31
0.00000
0.01439
-0.05002
32
0.00000
-0.01439
-0.05002