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)
1.38900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04271
0.02508
2
0.00000
-0.04271
-0.02508
3
0.00000
-0.00626
0.00736
4
0.00000
-0.00626
-0.00736
5
0.00000
-0.02701
0.03658
6
0.00000
-0.02701
-0.03658
7
0.00000
-0.06094
-0.01500
8
0.00000
-0.06094
0.01500
9
0.00000
0.04110
0.08072
10
0.00000
0.04110
-0.08072
11
0.00000
0.05747
0.00328
12
0.00000
0.05747
-0.00328
13
0.00000
-0.03651
-0.04134
14
0.00000
-0.03651
0.04134
15
0.00000
0.05668
0.00657
16
0.00000
0.05668
-0.00657
17
0.00000
-0.03508
-0.03722
18
0.00000
-0.03508
0.03722
19
0.00000
0.05293
-0.07806
20
0.00000
0.05293
0.07806
21
0.00000
0.05698
0.09178
22
0.00000
0.05698
-0.09178
23
0.00000
0.04686
-0.00195
24
0.00000
0.04686
0.00195
25
0.00000
-0.05839
-0.03002
26
0.00000
-0.05839
0.03002
27
0.00000
-0.01810
0.11515
28
0.00000
-0.01810
-0.11515
29
0.00000
-0.03475
0.03766
30
0.00000
-0.03475
-0.03766
31
0.00000
0.01146
-0.10283
32
0.00000
0.01146
0.10283