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)
-539.57243
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)
0.07136 b
(cm-1)
0.01501 c
(cm-1)
0.01240
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)
-0.38300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08290
0.00000
0.00000
2
-0.08290
0.00000
0.00000
3
0.06546
0.06424
0.00000
4
0.06546
-0.06424
0.00000
5
0.06546
0.06424
0.00000
6
0.06547
-0.06424
0.00000
7
-0.02745
0.04608
0.00000
8
-0.02745
-0.04607
0.00000
9
-0.02745
0.04607
0.00000
10
-0.02745
-0.04607
0.00000
11
0.02312
-0.02270
0.00000
12
0.02312
0.02270
0.00000
13
0.02312
-0.02270
0.00000
14
0.02312
0.02270
0.00000
15
-0.09437
0.00001
0.00000
16
-0.09437
0.00001
0.00000
17
-0.02625
-0.11441
0.00000
18
-0.02625
0.11441
0.00000
19
-0.02625
-0.11441
0.00000
20
-0.02625
0.11441
0.00000
21
-0.16092
-0.12686
0.00000
22
-0.16092
0.12686
0.00000
23
-0.16092
-0.12686
0.00000
24
-0.16092
0.12686
0.00000