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)
-539.46223
Description
D0
Multiplicity
2
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)
0.07234 b
(cm-1)
0.01515 c
(cm-1)
0.01253
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
0.00000
-0.00851
0.00000
2
0.00000
0.00851
0.00000
3
-0.08926
0.02912
0.00000
4
-0.08926
-0.02912
0.00000
5
0.08926
-0.02912
0.00000
6
0.08926
0.02912
0.00000
7
-0.05011
0.06976
0.00000
8
-0.05011
-0.06976
0.00000
9
0.05011
-0.06976
0.00000
10
0.05011
0.06976
0.00000
11
0.01564
0.03750
0.00000
12
0.01564
-0.03750
0.00000
13
-0.01564
-0.03750
0.00000
14
-0.01564
0.03750
0.00000
15
0.00000
-0.12271
0.00000
16
0.00000
0.12271
0.00000
17
-0.05011
0.12529
0.00000
18
-0.05011
-0.12529
0.00000
19
0.05011
-0.12529
0.00000
20
0.05011
0.12529
0.00000
21
0.06909
0.06823
0.00000
22
0.06909
-0.06823
0.00000
23
-0.06909
-0.06823
0.00000
24
-0.06909
0.06823
0.00000