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)
0.00000
Diff mu Y
(Debye)
-0.44400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05549
0.00000
2
-0.00001
-0.05549
0.00000
3
0.01500
-0.05009
0.00000
4
-0.01500
-0.05008
0.00000
5
0.01499
-0.05009
0.00000
6
-0.01500
-0.05009
0.00000
7
0.09833
0.00514
0.00000
8
-0.09833
0.00515
0.00000
9
0.09834
0.00514
0.00000
10
-0.09834
0.00515
0.00000
11
0.00856
0.07287
0.00000
12
-0.00855
0.07288
0.00000
13
0.00856
0.07288
0.00000
14
-0.00856
0.07288
0.00000
15
0.00000
-0.06435
0.00000
16
-0.00001
-0.06435
0.00000
17
0.09748
0.00295
0.00000
18
-0.09748
0.00295
0.00000
19
0.09748
0.00295
0.00000
20
-0.09748
0.00296
0.00000
21
-0.07278
0.02699
0.00000
22
0.07278
0.02700
0.00000
23
-0.07279
0.02699
0.00000
24
0.07278
0.02700
0.00000