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)
-539.57243
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)
0.07136 b
(cm-1)
0.01501 c
(cm-1)
0.01240
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
-0.00001
-0.01088
0.00000
2
0.00001
0.01088
0.00000
3
-0.08880
0.02934
0.00000
4
-0.08880
-0.02937
0.00000
5
0.08880
-0.02934
0.00000
6
0.08880
0.02937
0.00000
7
-0.05033
0.06924
0.00000
8
-0.05032
-0.06930
0.00000
9
0.05033
-0.06924
0.00000
10
0.05032
0.06930
0.00000
11
0.01598
0.03713
0.00000
12
0.01598
-0.03720
0.00000
13
-0.01598
-0.03713
0.00000
14
-0.01598
0.03720
0.00000
15
-0.00001
-0.12692
0.00000
16
0.00001
0.12692
0.00000
17
-0.05077
0.12656
0.00000
18
-0.05076
-0.12663
0.00000
19
0.05077
-0.12656
0.00000
20
0.05076
0.12663
0.00000
21
0.07108
0.06868
0.00000
22
0.07106
-0.06875
0.00000
23
-0.07108
-0.06868
0.00000
24
-0.07106
0.06875
0.00000