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
-0.13672
0.00000
0.00000
2
-0.05697
-0.00308
0.00000
3
-0.05697
0.00308
0.00000
4
0.05697
-0.00308
0.00000
5
0.05697
0.00308
0.00000
6
0.13671
0.00000
0.00000
7
-0.07195
0.02969
0.00000
8
-0.00393
-0.00168
0.00000
9
0.00393
-0.00167
0.00000
10
0.07195
0.02969
0.00000
11
-0.07195
-0.02969
0.00000
12
-0.00393
0.00168
0.00000
13
0.00393
0.00167
0.00000
14
0.07195
-0.02969
0.00000
15
-0.14051
0.00000
0.00000
16
-0.07407
-0.08131
0.00000
17
0.05215
-0.03139
0.00000
18
-0.05216
-0.03141
0.00000
19
0.07408
-0.08131
0.00000
20
-0.07407
0.08130
0.00000
21
0.05215
0.03139
0.00000
22
-0.05216
0.03141
0.00000
23
0.07407
0.08130
0.00000
24
0.14050
0.00000
0.00000