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)
-538.83499
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)
0.07163 b
(cm-1)
0.01506 c
(cm-1)
0.01244
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)
0.15600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09108
2
0.00000
0.00000
-0.09108
3
0.00000
0.00000
-0.06739
4
0.00000
0.00000
-0.06739
5
0.00000
0.00000
-0.06739
6
0.00000
0.00000
-0.06739
7
0.00000
0.00000
0.00507
8
0.00000
0.00000
0.00507
9
0.00000
0.00000
0.00507
10
0.00000
0.00000
0.00507
11
0.00000
0.00000
0.09687
12
0.00000
0.00000
0.09687
13
0.00000
0.00000
0.09687
14
0.00000
0.00000
0.09687
15
0.00000
0.00000
-0.08737
16
0.00000
0.00000
-0.08737
17
0.00000
0.00000
0.00501
18
0.00000
0.00000
0.00501
19
0.00000
0.00000
0.00501
20
0.00000
0.00000
0.00501
21
0.00000
0.00000
0.16943
22
0.00000
0.00000
0.16943
23
0.00000
0.00000
0.16943
24
0.00000
0.00000
0.16943