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)
-0.42200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05565
0.00000
2
0.00000
-0.05565
0.00000
3
0.01600
-0.05026
0.00000
4
-0.01600
-0.05026
0.00000
5
0.01600
-0.05026
0.00000
6
-0.01600
-0.05026
0.00000
7
0.09798
0.00480
0.00000
8
-0.09798
0.00481
0.00000
9
0.09798
0.00480
0.00000
10
-0.09798
0.00481
0.00000
11
0.00905
0.07323
0.00000
12
-0.00905
0.07323
0.00000
13
0.00905
0.07323
0.00000
14
-0.00905
0.07323
0.00000
15
0.00000
-0.06239
0.00000
16
0.00000
-0.06239
0.00000
17
0.09709
0.00275
0.00000
18
-0.09709
0.00276
0.00000
19
0.09709
0.00275
0.00000
20
-0.09709
0.00276
0.00000
21
-0.06972
0.02907
0.00000
22
0.06972
0.02908
0.00000
23
-0.06972
0.02907
0.00000
24
0.06972
0.02908
0.00000