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
0.00000
-0.06310
2
0.00000
0.00000
0.06310
3
0.00000
0.00000
0.03189
4
0.00000
0.00000
-0.03189
5
0.00000
0.00000
-0.03189
6
0.00000
0.00000
0.03189
7
0.00000
0.00000
0.06668
8
0.00000
0.00000
-0.06668
9
0.00000
0.00000
-0.06668
10
0.00000
0.00000
0.06668
11
0.00000
0.00000
-0.08431
12
0.00000
0.00000
0.08431
13
0.00000
0.00000
0.08431
14
0.00000
0.00000
-0.08431
15
0.00000
0.00000
-0.18290
16
0.00000
0.00000
0.18290
17
0.00000
0.00000
0.12935
18
0.00000
0.00000
-0.12935
19
0.00000
0.00000
-0.12935
20
0.00000
0.00000
0.12935
21
0.00000
0.00000
-0.20299
22
0.00000
0.00000
0.20299
23
0.00000
0.00000
0.20299
24
0.00000
0.00000
-0.20299