Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.00700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04049
0.00000
0.00000
2
-0.04550
0.00000
0.00000
3
-0.02388
0.00000
0.02479
4
-0.02388
0.00000
-0.02479
5
0.00204
0.00000
0.10032
6
0.00204
0.00000
-0.10032
7
-0.02928
0.00000
-0.04579
8
-0.02928
0.00000
0.04579
9
0.04944
0.00000
-0.03769
10
0.04944
0.00000
0.03769
11
0.05269
0.00000
-0.11626
12
0.05269
0.00000
0.11626
13
-0.04060
0.00000
0.10106
14
-0.04060
0.00000
-0.10106
15
-0.04977
0.00000
-0.01480
16
-0.04976
0.00000
0.01480
17
0.02975
0.00000
-0.07645
18
0.02975
0.00000
0.07645
19
-0.01751
0.01640
-0.14563
20
-0.01751
-0.01640
-0.14563
21
-0.01751
-0.01640
0.14563
22
-0.01751
0.01640
0.14563