2-CHLOROPROPANE, Tobiason+Schwendeman JCP 40,1014(1964) 13 1 0 0 0 0.000000 .000000 .000000 .000001 2 1 0 0 1.000000 .000000 .000000 .000001 3 2 1 0 3.000000 90.000000 .000000 12.000000 4 3 2 1 1.520000 56.4500000 90.000000 12.000000 5 3 2 1 1.520000 56.4500000 -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 atom no., parameter no. 4 1 1 also at atom: 5 atom no., parameter no. 13 1 0 atom no., parameter no. 6 1 5 also at atom: 7 8 91011 atom no., parameter no. 4 2 1 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 also at atom: 81011 atom no., parameter no. 6 2 1 also at atom: 9 atom no., parameter no. 6 3 1 also at atom: 9 atom no., parameter no. 7 3 1 also at atom: 10 atom no., parameter no. 8 3 1 also at atom: 11 NO OF CONSTANTS TO BE FITTED: 24 constant,species,value 1 1 8068.09 constant,species,value 2 1 4570.82 constant,species,value 3 1 3207.57 constant,species,value 1 2 8067.62 constant,species,value 2 2 4452.33 constant,species,value 3 2 3148.82 constant,species,value 1 3 7793.09 constant,species,value 2 3 4470.01 constant,species,value 3 3 3201.70 constant,species,value 1 4 8048.41 constant,species,value 2 4 4553.49 constant,species,value 3 4 3202.40 constant,species,value 1 5 7872.19 constant,species,value 2 5 4513.08 constant,species,value 3 5 3148.72 constant,species,value 1 6 7512.61 constant,species,value 2 6 4548.26 constant,species,value 3 6 3107.78 constant,species,value 1 7 7876.46 constant,species,value 2 7 4370.13 constant,species,value 3 7 3079.69 constant,species,value 1 8 7693.18 constant,species,value 2 8 4461.66 constant,species,value 3 8 3148.87 NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 12 4 36.965899 NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 13 4 2.0141022 NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 3 4 13.0033544 NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 4 4 13.0033544 NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 6 4 2.0141022 NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 7 4 2.0141022 NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 8 4 2.0141022