Charge: 2
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+2
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07407
-0.06946
0.00000
2
-0.07409
0.06946
0.00000
3
0.07407
0.06946
0.00000
4
-0.07409
-0.06946
0.00000
5
0.03884
-0.00544
0.00000
6
-0.03884
0.00541
0.00000
7
0.03884
0.00544
0.00000
8
-0.03884
-0.00541
0.00000
9
0.06146
0.06398
0.00000
10
-0.06145
-0.06399
0.00000
11
0.06146
-0.06398
0.00000
12
-0.06145
0.06399
0.00000
13
-0.07547
-0.00303
0.00000
14
0.07547
0.00301
0.00000
15
-0.07547
0.00303
0.00000
16
0.07547
-0.00301
0.00000
17
0.08371
0.02304
0.00000
18
-0.08370
-0.02302
0.00000
19
0.08371
-0.02304
0.00000
20
-0.08370
0.02302
0.00000