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)
-0.26500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01368
2
0.00000
0.00000
0.05909
3
-0.06187
0.00000
-0.01334
4
0.06187
0.00000
-0.01334
5
0.03648
0.00000
0.05604
6
-0.03648
0.00000
0.05604
7
-0.11213
0.00000
-0.05546
8
0.11213
0.00000
-0.05546
9
0.09463
0.00000
-0.04299
10
-0.09463
0.00000
-0.04299
11
0.00518
0.00000
0.01043
12
-0.00518
0.00000
0.01043
13
-0.04034
0.00000
0.05315
14
0.04034
0.00000
0.05315
15
-0.17900
0.00000
0.05089
16
0.17900
0.00000
0.05089
17
0.12821
0.00000
0.02224
18
-0.12821
0.00000
0.02224
19
-0.01515
-0.00250
-0.00996
20
-0.01515
0.00250
-0.00996
21
0.01515
-0.00250
-0.00996
22
0.01515
0.00250
-0.00996