Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
Electronic States
Energy
(eV)
-461.49413
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05061 b
(cm-1)
0.03995 c
(cm-1)
0.02232
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.29247
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)
1.21500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00101
2
0.00000
0.00000
0.00011
3
-0.00128
0.00000
0.00207
4
0.00128
0.00000
0.00207
5
-0.00256
0.00000
0.03495
6
0.00256
0.00000
0.03495
7
0.03885
0.00000
0.02262
8
-0.03885
0.00000
0.02262
9
0.00458
0.00000
-0.00411
10
-0.00458
0.00000
-0.00411
11
0.00362
0.00000
-0.00499
12
-0.00362
0.00000
-0.00499
13
0.02975
0.00000
-0.41162
14
-0.02975
0.00000
-0.41162
15
-0.45302
0.00000
-0.26922
16
0.45302
0.00000
-0.26922
17
-0.05574
0.00000
0.03167
18
0.05574
0.00000
0.03167
19
-0.03914
0.00000
0.05283
20
0.03914
0.00000
0.05283