Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.37000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04465
0.00000
0.00000
2
-0.00625
0.00000
0.00000
3
-0.00863
0.00000
0.08832
4
-0.00863
0.00000
-0.08832
5
-0.02997
0.00000
-0.02355
6
-0.02997
0.00000
0.02355
7
0.00644
0.00000
-0.03821
8
0.00644
0.00000
0.03821
9
0.05015
0.00000
0.04187
10
0.05015
0.00000
-0.04187
11
-0.01697
0.00000
0.03957
12
-0.01697
0.00000
-0.03957
13
-0.17841
0.00000
-0.03940
14
-0.17841
0.00000
0.03940
15
0.15266
0.00000
-0.28210
16
0.15266
0.00000
0.28210
17
0.16835
0.00000
0.26460
18
0.16835
0.00000
-0.26460
19
0.14848
0.00000
0.15972
20
0.14848
0.00000
-0.15972