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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04595
0.00000
0.00000
2
0.02806
-0.10842
0.00000
3
0.02807
0.10842
0.00000
4
-0.02812
-0.10845
0.00000
5
-0.02812
0.10845
0.00000
6
-0.04590
0.00000
0.00000
7
-0.02827
0.00966
0.00000
8
-0.02026
0.01522
0.00000
9
0.02026
0.01521
0.00000
10
0.02829
0.00967
0.00000
11
-0.02827
-0.00967
0.00000
12
-0.02026
-0.01522
0.00000
13
0.02026
-0.01521
0.00000
14
0.02829
-0.00967
0.00000
15
0.05620
0.00001
0.00000
16
-0.03247
-0.21682
0.00000
17
0.10135
-0.08868
0.00000
18
-0.10138
-0.08869
0.00000
19
0.03250
-0.21702
0.00000
20
-0.03247
0.21681
0.00000
21
0.10135
0.08868
0.00000
22
-0.10138
0.08870
0.00000
23
0.03249
0.21701
0.00000
24
-0.05615
0.00001
0.00000