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. Author manuscript; available in PMC: 2015 Dec 16.
Published in final edited form as: J Chem Phys. 2014 Sep 14;141(10):104305. doi: 10.1063/1.4894501

TABLE III.

Measured frequencies and residuals (in MHz) for the nuclear quadrupole coupling hyperfine components of AlCCCN.

J′ J″ F′1 F″1 F′ F″ ν obs. νobs.ν calc.
1 0 2.5 2.5 1.5 1.5 2674.63471 −0.00049
2.5 2.5 3.5 3.5 2675.05122 −0.00046
2.5 2.5 2.5 2.5 2676.00137 −0.00024
3.5 2.5 3.5 2.5 2682.89096 −0.00029
3.5 2.5 2.5 1.5 2683.57333 −0.00196
3.5 2.5 4.5 3.5 2683.66385 −0.00011
1.5 2.5 1.5 1.5 2686.77891 −0.00138
1.5 2.5 0.5 1.5 2687.13311 −0.00050
1.5 2.5 2.5 3.5 2687.41089 −0.00059
2 1 2.5 1.5 1.5 0.5 5354.26762 −0.00106
2.5 1.5 3.5 2.5 5354.35676 0.00020
2.5 1.5 2.5 2.5 5354.93291 −0.00076
2.5 1.5 2.5 1.5 5355.56552 −0.00025
3.5 3.5 2.5 2.5 5356.10914 0.00042
3.5 3.5 4.5 4.5 5356.20544 0.00001
3.5 3.5 3.5 3.5 5356.64182 −0.00018
3.5 2.5 3.5 2.5 5363.53147 −0.00017
4.5 1.5 3.5 2.5 5360.55638 −0.00009
4.5 3.5 4.5 3.5 5363.65193 0.00049
1.5 1.5 2.5 1.5 5360.44958 −0.00053
1.5 1.5 1.5 2.5 5360.50497 −0.00007
1.5 1.5 1.5 0.5 5360.78391 0.00008
4.5 3.5 5.5 4.5 5363.95089 0.00037
1.5 1.5 1.5 1.5 5361.13692 −0.00022
4.5 3.5 3.5 2.5 5364.39334 −0.00023
3.5 2.5 3.5 3.5 5364.48435 0.00064
3.5 2.5 4.5 3.5 5364.81829 0.00058
0.5 1.5 1.5 2.5 5364.93107 0.00021
3.5 2.5 2.5 1.5 5365.04869 −0.00012
0.5 1.5 0.5 0.5 5365.18383 −0.00009
0.5 1.5 0.5 1.5 5365.53805 0.00081
2.5 2.5 3.5 2.5 5365.76522 0.00093
2.5 2.5 2.5 2.5 5366.34201 0.00061
2.5 2.5 3.5 3.5 5366.71673 0.00037
2.5 2.5 1.5 1.5 5366.76660 −0.00049
2.5 2.5 2.5 3.5 5367.29364 0.00017
3 2 4.5 4.5 5.5 5.5 8037.77458 0.00109
1.5 0.5 2.5 1.5 8041.00381 0.00079
2.5 1.5 2.5 1.5 8041.06585 −0.00021
2.5 1.5 3.5 2.5 8041.68165 0.00057
3.5 2.5 3.5 2.5 8042.11209 0.00081
2.5 1.5 1.5 0.5 8042.15330 0.00041
4.5 2.5 3.5 2.5 8043.70899 −0.00040
3.5 2.5 2.5 1.5 8043.78790 0.00070
3.5 2.5 4.5 3.5 8043.81635 −0.00030
5.5 4.5 5.5 5.5 8043.82945 −0.00101
4.5 3.5 4.5 4.5 8044.50608 −0.00075
3.5 3.5 3.5 2.5 8044.77355 0.00022
4.5 3.5 4.5 3.5 8044.84035 −0.00048
5.5 4.5 5.5 4.5 8044.90024 0.00014
5.5 4.5 4.5 3.5 8044.98067 0.00003
4.5 3.5 5.5 4.5 8045.51866 0.00008
1.5 1.5 1.5 1.5 8045.67326 0.00124
1.5 1.5 2.5 2.5 8046.11592 0.00005
4.5 3.5 3.5 2.5 8046.37197 0.00053
4.5 3.5 3.5 3.5 8046.51845 −0.00070
2.5 2.5 2.5 2.5 8046.63682 −0.00061
2.5 2.5 3.5 3.5 8047.14293 0.00040
2.5 2.5 1.5 1.5 8047.23619 −0.00079
2.5 3.5 2.5 3.5 8049.44645 −0.00074
4 3 2.5 1.5 2.5 1.5 10 724.05291 −0.00040
3.5 2.5 3.5 2.5 10 724.49903 0.00018
2.5 1.5 3.5 2.5 10 724.69515 −0.00129
3.5 2.5 4.5 3.5 10 724.98315 0.00030
1.5 0.5 2.5 1.5 10 725.34913 0.00028
4.5 3.5 4.5 3.5 10 725.73774 −0.00044
1.5 0.5 0.5 0.5 10 725.74059 −0.00014
4.5 3.5 3.5 2.5 10 725.88506 −0.00013
4.5 3.5 5.5 4.5 10 726.00496 0.00018
4.5 4.5 5.5 5.5 10 726.20217 0.00066
5.5 4.5 5.5 4.5 10 726.25886 −0.00028
6.5 5.5 5.5 4.5 10 726.32945 0.00095
5.5 4.5 4.5 3.5 10 726.37781 −0.00059