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)
0.18100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01729
0.00000
0.00000
2
-0.01729
0.00000
0.00000
3
-0.00407
0.09332
0.00000
4
-0.00407
-0.09332
0.00000
5
-0.00407
0.09332
0.00000
6
-0.00407
-0.09332
0.00000
7
0.03614
-0.01891
0.00000
8
0.03614
0.01892
0.00000
9
0.03614
-0.01891
0.00000
10
0.03614
0.01892
0.00000
11
-0.04452
-0.05283
0.00000
12
-0.04452
0.05283
0.00000
13
-0.04452
-0.05283
0.00000
14
-0.04451
0.05283
0.00000
15
-0.02516
0.00000
0.00000
16
-0.02516
0.00000
0.00000
17
0.04580
0.08912
0.00000
18
0.04580
-0.08912
0.00000
19
0.04580
0.08912
0.00000
20
0.04580
-0.08912
0.00000
21
0.21780
0.08922
0.00000
22
0.21780
-0.08922
0.00000
23
0.21779
0.08922
0.00000
24
0.21779
-0.08922
0.00000