Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
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)
0.00100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05413
0.00000
0.00000
2
0.00014
-0.00207
0.00000
3
0.00014
0.00207
0.00000
4
-0.00014
-0.00207
0.00000
5
-0.00014
0.00207
0.00000
6
-0.05404
0.00000
0.00000
7
-0.01493
-0.00026
0.00000
8
0.00266
-0.00349
0.00000
9
-0.00270
-0.00357
0.00000
10
0.01499
-0.00026
0.00000
11
-0.01493
0.00026
0.00000
12
0.00266
0.00349
0.00000
13
-0.00270
0.00357
0.00000
14
0.01499
0.00026
0.00000
15
-0.62501
0.00000
0.00000
16
0.17145
-0.00172
0.00000
17
-0.02746
-0.04841
0.00000
18
0.02796
-0.04930
0.00000
19
-0.17222
-0.00172
0.00000
20
0.17145
0.00172
0.00000
21
-0.02747
0.04843
0.00000
22
0.02796
0.04931
0.00000
23
-0.17220
0.00172
0.00000
24
0.62401
0.00000
0.00000