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)
1.23000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00415
0.00000
0.00000
2
0.00415
0.00000
0.00000
3
-0.00064
0.00106
0.00000
4
-0.00064
-0.00106
0.00000
5
-0.00064
0.00106
0.00000
6
-0.00064
-0.00106
0.00000
7
0.02813
0.00155
0.00000
8
0.02813
-0.00155
0.00000
9
0.02813
0.00155
0.00000
10
0.02813
-0.00155
0.00000
11
0.01315
-0.02875
0.00000
12
0.01315
0.02875
0.00000
13
0.01315
-0.02876
0.00000
14
0.01315
0.02876
0.00000
15
-0.04644
0.00000
0.00000
16
-0.04644
0.00000
0.00000
17
-0.31164
-0.00091
0.00000
18
-0.31168
0.00091
0.00000
19
-0.31170
-0.00091
0.00000
20
-0.31174
0.00091
0.00000
21
-0.17371
0.31328
0.00000
22
-0.17372
-0.31331
0.00000
23
-0.17374
0.31334
0.00000
24
-0.17375
-0.31337
0.00000