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)
0.57200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00562
0.00000
0.00000
2
-0.00562
0.00000
0.00000
3
0.00122
-0.00112
0.00000
4
0.00122
0.00112
0.00000
5
0.00122
-0.00111
0.00000
6
0.00122
0.00111
0.00000
7
-0.04050
0.00104
0.00000
8
-0.04050
-0.00104
0.00000
9
-0.04048
0.00104
0.00000
10
-0.04048
-0.00104
0.00000
11
0.00622
-0.00854
0.00000
12
0.00622
0.00854
0.00000
13
0.00622
-0.00853
0.00000
14
0.00622
0.00853
0.00000
15
0.06414
0.00000
0.00000
16
0.06414
0.00000
0.00000
17
0.45811
-0.00650
0.00000
18
0.45812
0.00650
0.00000
19
0.45783
-0.00650
0.00000
20
0.45783
0.00650
0.00000
21
-0.06307
0.10570
0.00000
22
-0.06307
-0.10570
0.00000
23
-0.06303
0.10563
0.00000
24
-0.06303
-0.10563
0.00000