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)
-538.83499
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)
0.07163 b
(cm-1)
0.01506 c
(cm-1)
0.01244
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
0.00003
-0.01088
0.00000
2
-0.00003
0.01088
0.00000
3
-0.08838
0.02869
0.00000
4
-0.08837
-0.02857
0.00000
5
0.08838
-0.02869
0.00000
6
0.08838
0.02857
0.00000
7
-0.05077
0.06956
0.00000
8
-0.05081
-0.06934
0.00000
9
0.05077
-0.06956
0.00000
10
0.05081
0.06934
0.00000
11
0.01607
0.03782
0.00000
12
0.01607
-0.03754
0.00000
13
-0.01607
-0.03782
0.00000
14
-0.01607
0.03754
0.00000
15
0.00003
-0.12527
0.00000
16
-0.00003
0.12527
0.00000
17
-0.05120
0.12719
0.00000
18
-0.05124
-0.12693
0.00000
19
0.05120
-0.12719
0.00000
20
0.05124
0.12693
0.00000
21
0.07125
0.06926
0.00000
22
0.07129
-0.06900
0.00000
23
-0.07125
-0.06926
0.00000
24
-0.07129
0.06900
0.00000