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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02329
0.00001
0.00000
2
0.02329
-0.00001
0.00000
3
0.00071
-0.04271
0.00000
4
-0.00064
-0.04269
0.00000
5
-0.00071
0.04271
0.00000
6
0.00064
0.04269
0.00000
7
-0.01697
-0.08104
0.00000
8
0.01701
-0.08099
0.00000
9
0.01697
0.08104
0.00000
10
-0.01701
0.08099
0.00000
11
0.00033
-0.10189
0.00000
12
-0.00034
-0.10186
0.00000
13
-0.00033
0.10189
0.00000
14
0.00035
0.10186
0.00000
15
-0.02163
0.00005
0.00000
16
0.02163
-0.00005
0.00000
17
-0.01596
-0.09250
0.00000
18
0.01600
-0.09240
0.00000
19
0.01596
0.09250
0.00000
20
-0.01600
0.09240
0.00000
21
0.01786
-0.09270
0.00000
22
-0.01791
-0.09265
0.00000
23
-0.01786
0.09270
0.00000
24
0.01791
0.09265
0.00000