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)
-539.31632
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)
0.07158 b
(cm-1)
0.01500 c
(cm-1)
0.01240
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)
-1.43000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05498
0.00000
2
0.00000
-0.05498
0.00000
3
-0.04815
0.05068
0.00000
4
0.04815
0.05068
0.00000
5
-0.04815
0.05068
0.00000
6
0.04815
0.05068
0.00000
7
0.04235
-0.02879
0.00000
8
-0.04235
-0.02879
0.00000
9
0.04235
-0.02879
0.00000
10
-0.04235
-0.02879
0.00000
11
-0.09067
-0.01513
0.00000
12
0.09067
-0.01513
0.00000
13
-0.09067
-0.01513
0.00000
14
0.09067
-0.01513
0.00000
15
0.00000
0.13958
0.00000
16
0.00000
0.13958
0.00000
17
0.04813
0.07166
0.00000
18
-0.04813
0.07166
0.00000
19
0.04813
0.07166
0.00000
20
-0.04813
0.07166
0.00000
21
0.10839
0.10535
0.00000
22
-0.10839
0.10535
0.00000
23
0.10839
0.10535
0.00000
24
-0.10839
0.10535
0.00000