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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
1.32300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02352
0.01998
2
0.00000
-0.02352
-0.01998
3
0.00000
0.10205
0.05208
4
0.00000
0.10205
-0.05208
5
0.00000
0.01515
-0.05390
6
0.00000
0.01515
0.05390
7
0.00000
-0.07937
-0.04398
8
0.00000
-0.07937
0.04398
9
0.00000
0.00605
-0.00425
10
0.00000
0.00605
0.00425
11
0.00000
-0.00274
0.00307
12
0.00000
-0.00274
-0.00307
13
0.00000
0.02066
-0.01790
14
0.00000
0.02066
0.01790
15
0.00000
-0.03968
0.02770
16
0.00000
-0.03968
-0.02770
17
0.00000
0.03129
-0.02286
18
0.00000
0.03129
0.02286
19
0.00000
-0.00451
0.02361
20
0.00000
-0.00451
-0.02361
21
0.00000
-0.04162
-0.11837
22
0.00000
-0.04162
0.11837
23
0.00000
-0.11538
-0.06243
24
0.00000
-0.11538
0.06243
25
0.00000
-0.04636
0.01555
26
0.00000
-0.04636
-0.01555
27
0.00000
-0.20351
0.11973
28
0.00000
-0.20351
-0.11973
29
0.00000
0.03001
-0.16789
30
0.00000
0.03001
0.16789
31
0.00000
0.07469
0.07036
32
0.00000
0.07469
-0.07036