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)
-538.15913
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)
0.40000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05928
0.00000
0.00000
2
-0.05928
0.00000
0.00000
3
0.00121
0.00185
0.00000
4
0.00121
-0.00185
0.00000
5
0.00121
0.00185
0.00000
6
0.00121
-0.00186
0.00000
7
0.00402
-0.00029
0.00000
8
0.00402
0.00029
0.00000
9
0.00402
-0.00029
0.00000
10
0.00402
0.00029
0.00000
11
-0.00033
0.00045
0.00000
12
-0.00032
-0.00045
0.00000
13
-0.00033
0.00045
0.00000
14
-0.00032
-0.00045
0.00000
15
0.67055
0.00000
0.00000
16
0.67055
0.00000
0.00000
17
-0.04480
-0.00085
0.00000
18
-0.04480
0.00085
0.00000
19
-0.04480
-0.00085
0.00000
20
-0.04480
0.00085
0.00000
21
0.00395
-0.00672
0.00000
22
0.00394
0.00671
0.00000
23
0.00395
-0.00672
0.00000
24
0.00395
0.00671
0.00000