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)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
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)
-0.47100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.09168
2
0.00000
0.00000
0.10115
3
0.02926
0.00000
-0.09767
4
-0.02926
0.00000
-0.09767
5
0.01080
0.00000
-0.04681
6
-0.01080
0.00000
-0.04681
7
0.01160
0.00000
-0.02409
8
-0.01160
0.00000
-0.02409
9
-0.03265
0.00000
0.01751
10
0.03265
0.00000
0.01751
11
0.04210
0.00000
0.04545
12
-0.04210
0.00000
0.04545
13
0.26462
0.00000
-0.03364
14
-0.26462
0.00000
-0.03364
15
-0.14053
0.00000
0.22066
16
0.14053
0.00000
0.22066
17
-0.01712
0.00000
0.05526
18
0.01712
0.00000
0.05526
19
-0.07531
-0.01164
-0.06636
20
-0.07531
0.01164
-0.06636
21
0.07531
-0.01164
-0.06636
22
0.07531
0.01164
-0.06636