2-CHLOROPROPANE ! ! This fit is to be compared with the r0 results in Table 2, p.104 of ! R.H.Schwendeman, "Structural parameters from rotational spectra", ! in "Critical evaluation of chemical and physical structural ! information", D.R.Lide and M.A.Paul, Eds., National Academy of ! Sciences, Washingtom, D.C. (1974). ! 13 1 0 0 0 0.000000 .000000 .000000 0.0 2 1 0 0 1.000000 .000000 .000000 0.0 3 2 1 0 3.000000 90.000000 .000000 12.000000 4 3 2 1 1.520000 56.450000 90.000000 12.000000 5 3 2 1 1.520000 56.450000 -90.000000 12.000000 6 4 3 5 1.092000 111.000000 180.000000 1.007825 7 4 3 5 1.092000 109.600000 60.000000 1.007825 8 4 3 5 1.092000 109.600000 -60.000000 1.007825 9 5 3 4 1.092000 111.000000 180.000000 1.007825 10 5 3 4 1.092000 109.600000 60.000000 1.007825 11 5 3 4 1.092000 109.600000 -60.000000 1.007825 12 3 2 1 1.796800 127.157000 0.000000 34.968851 13 3 2 1 1.090900 127.800000 -180.000000 1.007825 NO OF PARAMETERS TO BE FITTED: 12 atom no., parameter no. 12 1 0 CCl atom no., parameter no. 4 1 1 CC also at atom: 5 atom no., parameter no. 13 1 0 CH_S atom no., parameter no. 6 1 5 CH_2 also at atom: 7 8 91011 atom no., parameter no. 4 2 1 CCC/2 also at atom: 5 atom no., parameter no. 12 2 0 atom no., parameter no. 13 2 0 atom no., parameter no. 7 2 3 CCH_2=CCH_3 also at atom: 81011 atom no., parameter no. 6 2 1 CCH_1 also at atom: 9 atom no., parameter no. 6 3 1 also at atom: -9 atom no., parameter no. 11 3 1 also at atom: -7 atom no., parameter no. 10 3 1 also at atom: -8 ! ! Rotational constants are from: Tobiason+Schwendeman JCP 40,1014(1964) ! NO OF CONSTANTS TO BE FITTED: 24 constant,species,value 1 1 8068.09 parent constant,species,value 2 1 4570.82 constant,species,value 3 1 3207.57 constant,species,value 1 2 8067.62 37Cl constant,species,value 2 2 4452.33 constant,species,value 3 2 3148.82 constant,species,value 1 3 7793.09 CDCl constant,species,value 2 3 4470.01 constant,species,value 3 3 3201.70 constant,species,value 1 4 8048.41 13CHCl constant,species,value 2 4 4553.49 constant,species,value 3 4 3202.40 constant,species,value 1 5 7872.19 13CH3 constant,species,value 2 5 4513.08 constant,species,value 3 5 3148.72 constant,species,value 1 6 7512.61 CH2D alpha constant,species,value 2 6 4548.26 constant,species,value 3 6 3107.78 constant,species,value 1 7 7876.46 CH2D beta constant,species,value 2 7 4370.13 constant,species,value 3 7 3079.69 constant,species,value 1 8 7693.18 CH2D gamma constant,species,value 2 8 4461.66 constant,species,value 3 8 3148.87 ! ! 37Cl ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 12 4 36.965899 ! ! CDCl ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 13 4 2.0141022 ! ! 13CHCl ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 3 4 13.0033544 ! ! 13CH3 ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 4 4 13.0033544 ! ! CH2D alpha ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 6 4 2.0141022 ! ! CH2D beta ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 7 4 2.0141022 ! ! CH2D gama ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 8 4 2.0141022