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)
0.12400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07340
0.00000
0.00000
2
-0.02375
-0.04131
0.00000
3
-0.02375
0.04131
0.00000
4
-0.02376
0.04134
0.00000
5
-0.02376
-0.04134
0.00000
6
-0.07346
0.00000
0.00000
7
0.02748
-0.07166
0.00000
8
0.03731
-0.08190
0.00000
9
0.03732
0.08188
0.00000
10
0.02751
0.07166
0.00000
11
0.02748
0.07166
0.00000
12
0.03731
0.08190
0.00000
13
0.03732
-0.08188
0.00000
14
0.02751
-0.07166
0.00000
15
-0.07251
0.00000
0.00000
16
0.02834
0.02519
0.00000
17
-0.04375
0.12789
0.00000
18
-0.04377
-0.12789
0.00000
19
0.02837
-0.02519
0.00000
20
0.02834
-0.02519
0.00000
21
-0.04375
-0.12789
0.00000
22
-0.04377
0.12789
0.00000
23
0.02837
0.02519
0.00000
24
-0.07257
0.00000
0.00000