Charge: 0
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
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
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)
-0.79400
Eigenvectors
#
X
Y
Z
1
0.00000
0.04437
0.02359
2
0.00000
-0.04437
0.02358
3
0.00000
0.09502
0.01982
4
0.00000
-0.09502
0.01981
5
0.00000
-0.01602
0.04308
6
0.00000
0.01603
0.04308
7
0.00000
0.02113
-0.09510
8
0.00000
-0.02113
-0.09509
9
0.00000
0.00686
-0.02914
10
0.00000
-0.00686
-0.02913
11
0.00000
-0.03180
0.00463
12
0.00000
0.03180
0.00463
13
0.00000
-0.02067
0.00345
14
0.00000
0.02067
0.00345
15
0.00000
0.00945
-0.00290
16
0.00000
-0.00945
-0.00290
17
0.00000
-0.01682
0.03917
18
0.00000
0.01682
0.03917
19
0.00000
-0.01078
-0.00451
20
0.00000
0.01078
-0.00451
21
0.00000
0.00979
-0.03029
22
0.00000
-0.00979
-0.03028
23
0.00000
-0.25123
-0.12603
24
0.00000
0.25124
-0.12603
25
0.00000
-0.02718
0.00710
26
0.00000
0.02715
0.00709
27
0.00000
0.12420
-0.10027
28
0.00000
-0.12421
-0.10027
29
0.00000
-0.01597
0.23624
30
0.00000
0.01597
0.23621
31
0.00000
-0.02515
-0.01178
32
0.00000
0.02516
-0.01179