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)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
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)
-0.60000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02928
2
0.00000
0.00000
-0.01816
3
-0.10869
0.00000
0.03347
4
0.10869
0.00000
0.03347
5
0.05460
0.00000
0.02533
6
-0.05460
0.00000
0.02533
7
0.08881
0.00000
-0.04518
8
-0.08881
0.00000
-0.04518
9
-0.06192
0.00000
-0.04438
10
0.06192
0.00000
-0.04438
11
-0.00712
0.00000
-0.01770
12
0.00712
0.00000
-0.01770
13
-0.06309
0.00000
0.02310
14
0.06309
0.00000
0.02310
15
-0.05543
0.00000
0.19490
16
0.05543
0.00000
0.19490
17
0.07488
0.00000
0.20940
18
-0.07488
0.00000
0.20940
19
0.00219
0.02948
0.04173
20
0.00219
-0.02948
0.04173
21
-0.00219
0.02948
0.04173
22
-0.00219
-0.02948
0.04173