Charge: 1
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+1
Electronic States
Energy
(eV)
-461.42730
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)
0.09388 b
(cm-1)
0.02232 c
(cm-1)
0.01803
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)
-1.15200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00170
0.00027
0.00000
2
0.00170
0.00027
0.00000
3
0.00170
-0.00027
0.00000
4
0.00170
-0.00027
0.00000
5
-0.00035
-0.03088
0.00000
6
-0.00035
-0.03088
0.00000
7
-0.00035
0.03087
0.00000
8
-0.00035
0.03088
0.00000
9
-0.02591
-0.01508
0.00000
10
-0.02592
-0.01508
0.00000
11
-0.02591
0.01508
0.00000
12
-0.02591
0.01508
0.00000
13
0.00697
0.34460
0.00000
14
0.00697
0.34464
0.00000
15
0.00697
-0.34453
0.00000
16
0.00697
-0.34454
0.00000
17
0.28549
0.16026
0.00000
18
0.28550
0.16027
0.00000
19
0.28547
-0.16025
0.00000
20
0.28547
-0.16025
0.00000