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)
1.46300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01372
2
0.00000
0.00000
0.01372
3
0.00000
0.00000
0.01998
4
0.00000
0.00000
0.01998
5
0.00000
0.00000
0.01998
6
0.00000
0.00000
0.01998
7
0.00000
0.00000
-0.03498
8
0.00000
0.00000
-0.03498
9
0.00000
0.00000
-0.03498
10
0.00000
0.00000
-0.03498
11
0.00000
0.00000
-0.03668
12
0.00000
0.00000
-0.03668
13
0.00000
0.00000
-0.03668
14
0.00000
0.00000
-0.03668
15
0.00000
0.00000
-0.17361
16
0.00000
0.00000
-0.17361
17
0.00000
0.00000
0.26485
18
0.00000
0.00000
0.26485
19
0.00000
0.00000
0.26485
20
0.00000
0.00000
0.26485
21
0.00000
0.00000
0.35551
22
0.00000
0.00000
0.35551
23
0.00000
0.00000
0.35551
24
0.00000
0.00000
0.35551