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)
-0.41700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.03976
2
0.00000
0.00000
0.03976
3
0.00000
0.00000
-0.02554
4
0.00000
0.00000
-0.02554
5
0.00000
0.00000
-0.02554
6
0.00000
0.00000
-0.02554
7
0.00000
0.00000
0.06198
8
0.00000
0.00000
0.06198
9
0.00000
0.00000
0.06198
10
0.00000
0.00000
0.06198
11
0.00000
0.00000
-0.04067
12
0.00000
0.00000
-0.04067
13
0.00000
0.00000
-0.04067
14
0.00000
0.00000
-0.04067
15
0.00000
0.00000
-0.18325
16
0.00000
0.00000
-0.18325
17
0.00000
0.00000
-0.31582
18
0.00000
0.00000
-0.31582
19
0.00000
0.00000
-0.31582
20
0.00000
0.00000
-0.31582
21
0.00000
0.00000
0.22115
22
0.00000
0.00000
0.22115
23
0.00000
0.00000
0.22115
24
0.00000
0.00000
0.22115