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)
-0.35100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.08488
0.00000
2
0.00000
0.08488
0.00000
3
0.03272
-0.04793
0.00000
4
-0.03272
-0.04793
0.00000
5
0.03271
-0.04793
0.00000
6
-0.03271
-0.04793
0.00000
7
-0.04606
-0.02391
0.00000
8
0.04606
-0.02391
0.00000
9
-0.04605
-0.02390
0.00000
10
0.04605
-0.02390
0.00000
11
0.08561
0.04075
0.00000
12
-0.08562
0.04075
0.00000
13
0.08560
0.04074
0.00000
14
-0.08560
0.04074
0.00000
15
0.00000
-0.16592
0.00000
16
0.00000
-0.16592
0.00000
17
-0.05133
0.00025
0.00000
18
0.05133
0.00025
0.00000
19
-0.05132
0.00025
0.00000
20
0.05132
0.00025
0.00000
21
-0.08261
-0.05248
0.00000
22
0.08261
-0.05249
0.00000
23
-0.08260
-0.05248
0.00000
24
0.08260
-0.05248
0.00000