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)
-539.29039
Description
D0
Multiplicity
2
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)
0.07166 b
(cm-1)
0.01501 c
(cm-1)
0.01241
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)
0.53200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.04153
2
0.00000
0.00000
-0.04153
3
0.00000
0.00000
0.02575
4
0.00000
0.00000
0.02575
5
0.00000
0.00000
0.02575
6
0.00000
0.00000
0.02575
7
0.00000
0.00000
-0.06130
8
0.00000
0.00000
-0.06130
9
0.00000
0.00000
-0.06130
10
0.00000
0.00000
-0.06130
11
0.00000
0.00000
0.03998
12
0.00000
0.00000
0.03998
13
0.00000
0.00000
0.03998
14
0.00000
0.00000
0.03998
15
0.00000
0.00000
0.19509
16
0.00000
0.00000
0.19509
17
0.00000
0.00000
0.31535
18
0.00000
0.00000
0.31535
19
0.00000
0.00000
0.31535
20
0.00000
0.00000
0.31535
21
0.00000
0.00000
-0.21828
22
0.00000
0.00000
-0.21828
23
0.00000
0.00000
-0.21828
24
0.00000
0.00000
-0.21828