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)
-538.15913
Description
S0
Multiplicity
1
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)
0.07177 b
(cm-1)
0.01497 c
(cm-1)
0.01239
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
0.00000
2
0.00000
0.00000
0.00000
3
0.00000
0.00000
0.06522
4
0.00000
0.00000
-0.06522
5
0.00000
0.00000
0.06522
6
0.00000
0.00000
-0.06522
7
0.00000
0.00000
0.04384
8
0.00000
0.00000
-0.04384
9
0.00000
0.00000
0.04384
10
0.00000
0.00000
-0.04384
11
0.00000
0.00000
-0.09447
12
0.00000
0.00000
0.09447
13
0.00000
0.00000
-0.09447
14
0.00000
0.00000
0.09447
15
0.00000
0.00000
0.00000
16
0.00000
0.00000
0.00000
17
0.00000
0.00000
0.12614
18
0.00000
0.00000
-0.12614
19
0.00000
0.00000
0.12614
20
0.00000
0.00000
-0.12614
21
0.00000
0.00000
-0.22881
22
0.00000
0.00000
0.22881
23
0.00000
0.00000
-0.22881
24
0.00000
0.00000
0.22881