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)
0.51000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00016
0.00000
0.00000
2
-0.00201
0.00000
0.00000
3
0.00128
0.00000
-0.00059
4
0.00128
0.00000
0.00059
5
0.00156
0.00000
-0.03126
6
0.00156
0.00000
0.03126
7
-0.03791
0.00000
-0.02252
8
-0.03791
0.00000
0.02252
9
0.02114
0.00000
-0.00858
10
0.02114
0.00000
0.00858
11
-0.00117
0.00000
0.00071
12
-0.00117
0.00000
-0.00071
13
-0.02313
0.00000
0.35359
14
-0.02313
0.00000
-0.35359
15
0.43719
0.00000
0.26381
16
0.43719
0.00000
-0.26381
17
-0.23200
0.00000
0.12019
18
-0.23200
0.00000
-0.12019
19
0.00534
0.01217
-0.00751
20
0.00534
-0.01217
-0.00751
21
0.00534
-0.01217
0.00751
22
0.00534
0.01217
0.00751