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)
-538.83524
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)
0.07213 b
(cm-1)
0.01479 c
(cm-1)
0.01228
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)
0.78700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03495
2
0.00000
0.00000
-0.03495
3
0.00000
0.00000
0.02779
4
0.00000
0.00000
0.02779
5
0.00000
0.00000
0.02779
6
0.00000
0.00000
0.02779
7
0.00000
0.00000
-0.06354
8
0.00000
0.00000
-0.06354
9
0.00000
0.00000
-0.06354
10
0.00000
0.00000
-0.06354
11
0.00000
0.00000
0.03637
12
0.00000
0.00000
0.03637
13
0.00000
0.00000
0.03637
14
0.00000
0.00000
0.03637
15
0.00000
0.00000
0.12519
16
0.00000
0.00000
0.12519
17
0.00000
0.00000
0.34322
18
0.00000
0.00000
0.34322
19
0.00000
0.00000
0.34322
20
0.00000
0.00000
0.34322
21
0.00000
0.00000
-0.20527
22
0.00000
0.00000
-0.20527
23
0.00000
0.00000
-0.20527
24
0.00000
0.00000
-0.20527