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)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
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)
-0.06100
Eigenvectors
#
X
Y
Z
1
0.00000
0.02663
0.05807
2
0.00000
-0.02663
0.05807
3
0.00000
0.06218
-0.10862
4
0.00000
-0.06218
-0.10862
5
0.00000
-0.00108
0.01118
6
0.00000
0.00108
0.01118
7
0.00000
0.03830
0.05619
8
0.00000
-0.03830
0.05619
9
0.00000
0.01679
-0.00465
10
0.00000
-0.01679
-0.00465
11
0.00000
-0.07718
-0.01406
12
0.00000
0.07718
-0.01406
13
0.00000
0.02027
-0.04745
14
0.00000
-0.02027
-0.04745
15
0.00000
0.01024
0.04836
16
0.00000
-0.01024
0.04836
17
0.00000
0.01398
0.01830
18
0.00000
-0.01398
0.01830
19
0.00000
0.00126
-0.01853
20
0.00000
-0.00126
-0.01853
21
0.00000
0.00851
0.04877
22
0.00000
-0.00851
0.04877
23
0.00000
-0.05802
-0.00041
24
0.00000
0.05802
-0.00040
25
0.00000
-0.18999
0.06704
26
0.00000
0.18999
0.06704
27
0.00000
-0.01734
0.01727
28
0.00000
0.01733
0.01727
29
0.00000
0.01654
-0.07036
30
0.00000
-0.01654
-0.07037
31
0.00000
-0.04247
-0.04786
32
0.00000
0.04247
-0.04786