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)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
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)
-0.09100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.11723
2
0.00000
0.00000
-0.04688
3
-0.03681
0.00000
-0.09016
4
0.03681
0.00000
-0.09016
5
-0.03926
0.00000
0.08684
6
0.03926
0.00000
0.08684
7
0.02743
0.00000
-0.01445
8
-0.02743
0.00000
-0.01445
9
-0.01116
0.00000
0.00187
10
0.01116
0.00000
0.00187
11
0.02335
0.00000
0.09302
12
-0.02335
0.00000
0.09302
13
-0.01020
0.00000
0.09287
14
0.01020
0.00000
0.09287
15
-0.01328
0.00000
0.05152
16
0.01328
0.00000
0.05152
17
-0.10294
0.00000
-0.17062
18
0.10294
0.00000
-0.17062
19
-0.03718
-0.00326
0.04246
20
-0.03718
0.00326
0.04246
21
0.03718
-0.00326
0.04246
22
0.03718
0.00326
0.04246