Charge: 0
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
Electronic States
Energy
(eV)
-538.15913
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)
0.07177 b
(cm-1)
0.01497 c
(cm-1)
0.01239
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)
2.43900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00294
0.00000
2
0.00000
0.00294
0.00000
3
0.01120
-0.05984
0.00000
4
-0.01120
-0.05984
0.00000
5
0.01121
-0.05984
0.00000
6
-0.01120
-0.05984
0.00000
7
-0.02593
0.01252
0.00000
8
0.02593
0.01252
0.00000
9
-0.02593
0.01252
0.00000
10
0.02593
0.01252
0.00000
11
-0.01176
0.00555
0.00000
12
0.01177
0.00555
0.00000
13
-0.01177
0.00555
0.00000
14
0.01177
0.00555
0.00000
15
0.00000
0.48660
0.00000
16
0.00000
0.48660
0.00000
17
-0.02819
0.26021
0.00000
18
0.02819
0.26020
0.00000
19
-0.02819
0.26020
0.00000
20
0.02819
0.26020
0.00000
21
-0.06736
-0.02363
0.00000
22
0.06736
-0.02362
0.00000
23
-0.06737
-0.02363
0.00000
24
0.06736
-0.02363
0.00000