Charge: 2
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+2
Electronic States
Energy
(eV)
-538.83499
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)
0.07163 b
(cm-1)
0.01506 c
(cm-1)
0.01244
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)
1.33900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02648
2
0.00000
0.00000
0.02648
3
0.00000
0.00000
0.01923
4
0.00000
0.00000
0.01923
5
0.00000
0.00000
0.01923
6
0.00000
0.00000
0.01923
7
0.00000
0.00000
-0.04246
8
0.00000
0.00000
-0.04246
9
0.00000
0.00000
-0.04246
10
0.00000
0.00000
-0.04246
11
0.00000
0.00000
-0.03062
12
0.00000
0.00000
-0.03063
13
0.00000
0.00000
-0.03063
14
0.00000
0.00000
-0.03063
15
0.00000
0.00000
-0.22798
16
0.00000
0.00000
-0.22798
17
0.00000
0.00000
0.26472
18
0.00000
0.00000
0.26472
19
0.00000
0.00000
0.26472
20
0.00000
0.00000
0.26472
21
0.00000
0.00000
0.33285
22
0.00000
0.00000
0.33285
23
0.00000
0.00000
0.33285
24
0.00000
0.00000
0.33285