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)
-0.36900
Eigenvectors
#
X
Y
Z
1
0.00000
0.02998
-0.02468
2
0.00000
-0.02998
-0.02468
3
0.00000
0.01343
0.03301
4
0.00000
-0.01343
0.03301
5
0.00000
-0.03441
0.02742
6
0.00000
0.03441
0.02742
7
0.00000
-0.06710
-0.01470
8
0.00000
0.06710
-0.01470
9
0.00000
0.04325
-0.01321
10
0.00000
-0.04325
-0.01321
11
0.00000
-0.02962
-0.03611
12
0.00000
0.02962
-0.03611
13
0.00000
0.03016
-0.03759
14
0.00000
-0.03016
-0.03759
15
0.00000
0.00137
0.05491
16
0.00000
-0.00137
0.05491
17
0.00000
0.03760
0.08156
18
0.00000
-0.03760
0.08156
19
0.00000
-0.03665
-0.04777
20
0.00000
0.03665
-0.04777
21
0.00000
0.00085
-0.07942
22
0.00000
-0.00085
-0.07942
23
0.00000
0.13188
0.06041
24
0.00000
-0.13188
0.06041
25
0.00000
-0.07281
0.01499
26
0.00000
0.07281
0.01499
27
0.00000
-0.06623
0.05041
28
0.00000
0.06623
0.05041
29
0.00000
0.03801
-0.29787
30
0.00000
-0.03801
-0.29787
31
0.00000
0.01710
-0.02056
32
0.00000
-0.01710
-0.02056