Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
Electronic States
Energy
(eV)
-539.72189
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.07208 b
(cm-1)
0.01516 c
(cm-1)
0.01252
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02181
0.00000
0.00000
2
-0.00037
-0.00023
0.00000
3
-0.00037
0.00023
0.00000
4
0.00037
-0.00023
0.00000
5
0.00037
0.00023
0.00000
6
0.02177
0.00000
0.00000
7
-0.03428
0.00040
0.00000
8
0.00860
-0.01354
0.00000
9
-0.00860
-0.01353
0.00000
10
0.03427
0.00040
0.00000
11
-0.03427
-0.00040
0.00000
12
0.00860
0.01353
0.00000
13
-0.00859
0.01352
0.00000
14
0.03426
-0.00040
0.00000
15
0.25415
0.00000
0.00000
16
0.39941
0.00208
0.00000
17
-0.09516
-0.16540
0.00000
18
0.09513
-0.16533
0.00000
19
-0.39930
0.00208
0.00000
20
0.39952
-0.00208
0.00000
21
-0.09523
0.16551
0.00000
22
0.09519
0.16544
0.00000
23
-0.39941
-0.00208
0.00000
24
-0.25365
0.00000
0.00000