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)
-0.66900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02207
0.00000
0.00000
2
-0.02207
0.00000
0.00000
3
0.00056
0.00009
0.00000
4
0.00056
-0.00009
0.00000
5
0.00056
0.00009
0.00000
6
0.00056
-0.00009
0.00000
7
-0.02905
0.00004
0.00000
8
-0.02904
-0.00004
0.00000
9
-0.02905
0.00004
0.00000
10
-0.02905
-0.00004
0.00000
11
0.01186
-0.02022
0.00000
12
0.01186
0.02022
0.00000
13
0.01187
-0.02022
0.00000
14
0.01187
0.02022
0.00000
15
0.25463
0.00000
0.00000
16
0.25464
0.00000
0.00000
17
0.34080
-0.00074
0.00000
18
0.34080
0.00074
0.00000
19
0.34083
-0.00074
0.00000
20
0.34082
0.00074
0.00000
21
-0.13880
0.24643
0.00000
22
-0.13879
-0.24642
0.00000
23
-0.13881
0.24644
0.00000
24
-0.13880
-0.24643
0.00000