Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
Electronic States
Energy
(eV)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
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)
0.06500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02158
2
0.00000
0.00000
0.01257
3
-0.03038
0.00000
0.03473
4
0.03038
0.00000
0.03473
5
0.01589
0.00000
0.00075
6
-0.01589
0.00000
0.00075
7
0.00983
0.00000
0.01538
8
-0.00983
0.00000
0.01538
9
0.00403
0.00000
-0.01868
10
-0.00403
0.00000
-0.01867
11
0.06519
0.00000
0.01775
12
-0.06519
0.00000
0.01775
13
0.08761
0.00000
0.00482
14
-0.08759
0.00000
0.00482
15
0.12081
0.00000
-0.16397
16
-0.12081
0.00000
-0.16398
17
-0.03784
0.00000
-0.10415
18
0.03784
0.00000
-0.10416
19
-0.31384
0.00169
-0.26731
20
-0.31384
-0.00169
-0.26731
21
0.31384
0.00169
-0.26730
22
0.31384
-0.00169
-0.26730