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)
1.23800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02118
0.00000
2
0.00000
0.02118
0.00000
3
0.02571
-0.00763
0.00000
4
-0.02571
-0.00763
0.00000
5
0.02571
-0.00763
0.00000
6
-0.02571
-0.00763
0.00000
7
-0.04925
-0.05333
0.00000
8
0.04925
-0.05333
0.00000
9
-0.04926
-0.05334
0.00000
10
0.04926
-0.05334
0.00000
11
-0.05363
0.06372
0.00000
12
0.05363
0.06372
0.00000
13
-0.05364
0.06374
0.00000
14
0.05364
0.06374
0.00000
15
0.00000
0.12122
0.00000
16
0.00000
0.12122
0.00000
17
-0.05701
-0.25558
0.00000
18
0.05701
-0.25558
0.00000
19
-0.05702
-0.25563
0.00000
20
0.05702
-0.25563
0.00000
21
-0.11933
0.03588
0.00000
22
0.11933
0.03588
0.00000
23
-0.11936
0.03589
0.00000
24
0.11936
0.03589
0.00000