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)
0.00700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00030
0.00000
2
0.00027
0.00071
0.00000
3
-0.00027
0.00070
0.00000
4
-0.00027
0.00070
0.00000
5
0.00027
0.00070
0.00000
6
0.00000
0.00030
0.00000
7
0.03771
-0.00016
0.00000
8
-0.00861
0.01307
0.00000
9
0.00861
0.01307
0.00000
10
-0.03768
-0.00016
0.00000
11
-0.03772
-0.00016
0.00000
12
0.00862
0.01308
0.00000
13
-0.00862
0.01308
0.00000
14
0.03769
-0.00016
0.00000
15
0.00004
-0.00308
0.00000
16
0.43909
0.00121
0.00000
17
-0.09399
-0.16366
0.00000
18
0.09396
-0.16361
0.00000
19
-0.43877
0.00120
0.00000
20
-0.43900
0.00120
0.00000
21
0.09392
-0.16354
0.00000
22
-0.09389
-0.16348
0.00000
23
0.43867
0.00120
0.00000
24
-0.00004
-0.00308
0.00000