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)
-538.15913
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)
0.07177 b
(cm-1)
0.01497 c
(cm-1)
0.01239
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
0.02268
0.00000
0.00000
2
-0.02268
0.00000
0.00000
3
-0.00097
0.04527
0.00000
4
0.00098
0.04527
0.00000
5
0.00097
-0.04526
0.00000
6
-0.00098
-0.04527
0.00000
7
0.01524
0.07973
0.00000
8
-0.01523
0.07975
0.00000
9
-0.01524
-0.07973
0.00000
10
0.01523
-0.07975
0.00000
11
-0.00043
0.10227
0.00000
12
0.00043
0.10227
0.00000
13
0.00043
-0.10227
0.00000
14
-0.00043
-0.10228
0.00000
15
0.02137
0.00001
0.00000
16
-0.02137
-0.00001
0.00000
17
0.01467
0.08943
0.00000
18
-0.01466
0.08945
0.00000
19
-0.01467
-0.08943
0.00000
20
0.01466
-0.08945
0.00000
21
-0.01654
0.09410
0.00000
22
0.01653
0.09411
0.00000
23
0.01654
-0.09410
0.00000
24
-0.01653
-0.09411
0.00000