Charge: 0
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
Electronic States
Energy
(eV)
-539.72189
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)
0.07208 b
(cm-1)
0.01516 c
(cm-1)
0.01252
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)
0.36800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01000
0.00000
0.00000
2
-0.00182
-0.05516
0.00000
3
-0.00182
0.05516
0.00000
4
-0.00181
0.05516
0.00000
5
-0.00181
-0.05516
0.00000
6
0.00999
0.00000
0.00000
7
0.02172
0.09387
0.00000
8
-0.03698
-0.07013
0.00000
9
-0.03697
0.07012
0.00000
10
0.02171
-0.09387
0.00000
11
0.02172
-0.09387
0.00000
12
-0.03697
0.07012
0.00000
13
-0.03697
-0.07012
0.00000
14
0.02171
0.09386
0.00000
15
0.01336
0.00000
0.00000
16
0.02721
0.11369
0.00000
17
0.10986
-0.00468
0.00000
18
0.10985
0.00467
0.00000
19
0.02720
-0.11369
0.00000
20
0.02721
-0.11369
0.00000
21
0.10987
0.00468
0.00000
22
0.10986
-0.00467
0.00000
23
0.02721
0.11369
0.00000
24
0.01336
0.00000
0.00000