2,2 Dichloropropane: 37Cl,35Cl gs Thu May 26 09:42:49 2011 25 136 3 0 0.0000E+000 3.0000E+005 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0, , , 3 , , 10000 3.641284204201887E+003 1.00000000E-037 /A 20000 2.408886034173395E+003 1.00000000E-037 /B 30000 2.113886498850274E+003 1.00000000E-037 /C 200 -4.009746161676607E-004 1.00000000E-037 /-DJ 1100 1.853407952053079E-004 1.00000000E-037 /-DJK 2000 -8.314024320028886E-004 1.00000000E-037 /-DK 40100 -7.995640996026027E-005 1.00000000E-037 /-dJ 41000 -1.544879035269416E-004 1.00000000E-037 /-dK 300 9.804842164583509E-011 1.00000000E-037 /HJ 1200 2.523495091268879E-010 1.00000000E-037 /HJK 2100 -1.384270888600809E-009 1.00000000E-037 /HKJ 3000 1.846558844337055E-009 1.00000000E-037 /HK 40200 4.047783023848415E-011 1.00000000E-037 /hJ 110010000 -5.190540250247364E+001 1.00000000E+000 /chi.aa*3/2 220010000 -4.702250022128141E+001 1.00000000E+000 /chi.aa*3/2 110040000 -1.006752809229337E+001 1.00000000E+000 /chi(b-c)/4 220040000 -6.916909842986002E+000 1.00000000E+000 /chi(b-c)/4 110610000 5.196584810907118E+001 5.00000000E+000 /chi.ab 220610000 -3.937776384730011E+001 5.00000000E+000 /chi.ab 10010000 8.351000000000006E-004 1.00000000E-037 /M.aa {+IMJ -20010000 6.581924200000003E-004 1.00000000E-037 /M.aa {+IMJ 10020000 8.303000000000007E-004 1.00000000E-037 /M.bb {+IMJ -20020000 6.544092500000004E-004 1.00000000E-037 /M.bb {+IMJ 10030000 1.049500000000000E-003 1.00000000E-037 /M.cc {+IMJ -20030000 8.271739000000000E-004 1.00000000E-037 /M.cc {+IMJ ! !-------------------------------------------------------------------------------- ! With unified ABC and quartics transferred from the MMW fit ! all M's fixed: those for 35Cl the parent values and those for 37 ! scaled by 0.78816 relative to 35 ! ! MICROWAVE RMS = 0.001531 MHz ! RMS ERROR= 0.76536 0.76536 ! 2,2 Dichloropropane: 37Cl,35Cl gs Thu May 26 09:41:14 2011 25 136 3 0 0.0000E+000 3.0000E+005 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0, , , 3 , , 10000 3.641284204201887E+003 1.00000000E-037 /A 20000 2.408886034173395E+003 1.00000000E-037 /B 30000 2.113886498850274E+003 1.00000000E-037 /C 200 -4.009746161676607E-004 1.00000000E-037 /-DJ 1100 1.853407952053079E-004 1.00000000E-037 /-DJK 2000 -8.314024320028886E-004 1.00000000E-037 /-DK 40100 -7.995640996026027E-005 1.00000000E-037 /-dJ 41000 -1.544879035269416E-004 1.00000000E-037 /-dK 300 9.804842164583509E-011 1.00000000E-037 /HJ 1200 2.523495091268879E-010 1.00000000E-037 /HJK 2100 -1.384270888600809E-009 1.00000000E-037 /HKJ 3000 1.846558844337055E-009 1.00000000E-037 /HK 40200 4.047783023848415E-011 1.00000000E-037 /hJ 110010000 -5.190540250247364E+001 1.00000000E+000 /chi.aa*3/2 220010000 -4.702250022128141E+001 1.00000000E+000 /chi.aa*3/2 110040000 -1.006752809229337E+001 1.00000000E+000 /chi(b-c)/4 220040000 -6.916909842986002E+000 1.00000000E+000 /chi(b-c)/4 110610000 5.196584810907118E+001 5.00000000E+000 /chi.ab 220610000 -3.937776384730011E+001 5.00000000E+000 /chi.ab 10010000 8.351000000000006E-004 1.00000000E-037 /M.aa {+IMJ -20010000 6.581924200000003E-004 1.00000000E-037 /M.aa {+IMJ 10020000 8.303000000000007E-004 1.00000000E-037 /M.bb {+IMJ -20020000 6.544092500000004E-004 1.00000000E-037 /M.bb {+IMJ 10030000 1.049500000000000E-003 1.00000000E-037 /M.cc {+IMJ -20030000 8.271739000000000E-004 1.00000000E-037 /M.cc {+IMJ ! !-------------------------------------------------------------------------------- ! With unified ABC and quartics transferred from the MMW fit ! M's for 37 scaled by 0.78816 relative to 35 ! ! MICROWAVE RMS = 0.001562 MHz ! RMS ERROR= 0.73569 0.73569 ! 2,2 Dichloropropane: 37Cl,35Cl gs Thu May 26 09:05:33 2011 25 137 3 0 0.0000E+000 3.0000E+005 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0, , , 3 , , 10000 3.641284204201887E+003 1.00000000E-037 /A 20000 2.408886034173395E+003 1.00000000E-037 /B 30000 2.113886498850274E+003 1.00000000E-037 /C 200 -4.009746161676607E-004 1.00000000E-037 /-DJ 1100 1.853407952053079E-004 1.00000000E-037 /-DJK 2000 -8.314024320028886E-004 1.00000000E-037 /-DK 40100 -7.995640996026027E-005 1.00000000E-037 /-dJ 41000 -1.544879035269416E-004 1.00000000E-037 /-dK 300 9.804842164583509E-011 1.00000000E-037 /HJ 1200 2.523495091268879E-010 1.00000000E-037 /HJK 2100 -1.384270888600809E-009 1.00000000E-037 /HKJ 3000 1.846558844337055E-009 1.00000000E-037 /HK 40200 4.047783023848415E-011 1.00000000E-037 /hJ 110010000 -5.190568956281356E+001 1.00000000E+000 /chi.aa*3/2 220010000 -4.702113408495162E+001 1.00000000E+000 /chi.aa*3/2 110040000 -1.006794835470902E+001 1.00000000E+000 /chi(b-c)/4 220040000 -6.916705650107097E+000 1.00000000E+000 /chi(b-c)/4 110610000 5.202091814617543E+001 5.00000000E+000 /chi.ab 220610000 -3.924191069963032E+001 5.00000000E+000 /chi.ab 10010000 5.140500762711261E-004 9.99999970E+000 /M.aa {+IMJ -20010000 4.051528513637232E-004 1.00000000E-037 /M.aa {+IMJ 10020000 8.277721462153239E-004 9.99999970E+000 /M.bb {+IMJ -20020000 6.524157122294326E-004 1.00000000E-037 /M.bb {+IMJ 10030000 1.212476277133546E-003 9.99999970E+000 /M.cc {+IMJ -20030000 9.556253025855761E-004 1.00000000E-037 /M.cc {+IMJ ! !-------------------------------------------------------------------------------- ! With all M's but those for 37 scaled by 0.78816 relative to 35 ! A,B,C floated ! ! MICROWAVE RMS = 0.001289 MHz, ! RMS ERROR= 0.64124 0.64124 ! 2,2-dichloropropane 37:Cl Wed May 25 18:45:15 2011 25 137 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 ,21.0,21.0, , , 0 , , 10000 3.641283993151214E+003 1.00000000E+000 /A 20000 2.408886223224532E+003 1.00000000E+000 /B 30000 2.113886307126445E+003 1.00000000E+000 /C 200 -4.011026801031299E-004 1.00000000E-037 /-DJ 1100 1.854376962295721E-004 1.00000000E-037 /-DJK 2000 -8.314020321277340E-004 1.00000000E-037 /-DK 40100 -7.990163877374202E-005 1.00000000E-037 /-dJ 41000 -1.546007308448636E-004 1.00000000E-037 /-dK 300 1.095221478447029E-010 1.00000000E-037 /HJ 1200 2.496965365883932E-010 1.00000000E-037 /HJK 2100 -1.390548655301915E-009 1.00000000E-037 /HKJ 3000 1.846375165205317E-009 1.00000000E-037 /HK 40200 3.589993657210546E-011 1.00000000E-037 /hJ 110010000 -5.190810256820940E+001 1.00000000E+000 /chi.aa*3/2 220010000 -4.702126034738566E+001 1.00000000E+000 /chi.aa*3/2 110040000 -1.006753691625810E+001 1.00000000E+000 /chi(b-c)/4 220040000 -6.916425810455587E+000 1.00000000E+000 /chi(b-c)/4 110610000 -5.211491110651861E+001 5.00000000E+000 /chi.ab 220610000 3.939296855366283E+001 5.00000000E+000 /chi.ab 10010000 5.324800396707208E-004 9.99999970E+000 /M.aa {+IMJ -20010000 4.196785806001430E-004 1.00000000E-037 /M.aa {+IMJ 10020000 9.050679925318802E-004 9.99999970E+000 /M.bb {+IMJ -20020000 7.133370960396519E-004 1.00000000E-037 /M.bb {+IMJ 10030000 1.101240718369935E-003 9.99999970E+000 /M.cc {+IMJ -20030000 8.679538845904473E-004 1.00000000E-037 /M.cc {+IMJ ! !-------------------------------------------------------------------------------- ! With latest centrifugals and more lines ! ! 2,2-dichloropropane 37:Cl Wed May 25 18:05:15 2011 25 135 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 ,21.0,21.0, , , 0 , , 10000 3.641283938121254E+003 1.00000000E+000 /A 20000 2.408886058782549E+003 1.00000000E+000 /B 30000 2.113886291266010E+003 1.00000000E+000 /C 200 -4.011026801031299E-004 1.00000000E-037 /-DJ 1100 1.854376962295721E-004 1.00000000E-037 /-DJK 2000 -8.314020321277340E-004 1.00000000E-037 /-DK 40100 -7.990163877374202E-005 1.00000000E-037 /-dJ 41000 -1.546007308448636E-004 1.00000000E-037 /-dK 300 1.095221478447029E-010 1.00000000E-037 /HJ 1200 2.496965365883932E-010 1.00000000E-037 /HJK 2100 -1.390548655301915E-009 1.00000000E-037 /HKJ 3000 1.846375165205317E-009 1.00000000E-037 /HK 40200 3.589993657210546E-011 1.00000000E-037 /hJ 110010000 -5.190604729725396E+001 1.00000000E+000 /chi.aa*3/2 220010000 -4.702429777451698E+001 1.00000000E+000 /chi.aa*3/2 110040000 -1.006929810862667E+001 1.00000000E+000 /chi(b-c)/4 220040000 -6.915206682323697E+000 1.00000000E+000 /chi(b-c)/4 110610000 -5.225505639826548E+001 5.00000000E+000 /chi.ab 220610000 3.921917305019255E+001 1.00000000E+000 /chi.ab 10010000 1.000000000000000E-025 9.99999970E-037 /M.aa {+IMJ -20010000 1.000000000000000E-025 1.00000000E-037 /M.aa {+IMJ 10020000 1.000000000000000E-025 9.99999970E-037 /M.bb {+IMJ -20020000 1.000000000000000E-025 1.00000000E-037 /M.bb {+IMJ 10030000 1.170537433472215E-003 9.99999970E+000 /M.cc {+IMJ 20030000 9.105087107208058E-004 1.00000000E+000 /M.cc {+IMJ ! !-------------------------------------------------------------------------------- ! ! Last LP fit: ! ! 7 different rotational transitions (10 in parent) and some problems with ! compatibility of quadrupole angles ! ! END OF ITERATION 1 OLD, NEW RMS ERROR= 0.67368 0.67361 ! ! distinct frequency lines in fit: 115 ! distinct constants in fit: 11 ! ! 2,2-dichloropropane 37:Cl Wed May 30 22:08:48 2007 20 116 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 ,21.0,21.0, , , 0 , , 10000 3.641284040894765E+003 1.00000000E+000 /A 20000 2.408886104772900E+003 1.00000000E+000 /B 30000 2.113886302889957E+003 1.00000000E+000 /C 200 -4.008269560000003E-004 1.00000000E-035 /-DJ 1100 1.850052230000000E-004 1.00000000E-035 /-DJK 2000 -8.310820500000010E-004 1.00000000E-035 /-DK 40100 -7.988600500000009E-005 1.00000000E-035 /-delJ 41000 -1.554343400000000E-004 1.00000000E-035 /-delK 110010000 -5.190403866224522E+001 1.00000000E+000 /chi.aa*3/2 220010000 -4.702856356718877E+001 1.00000000E+000 /chi.aa*3/2 110040000 -1.006973946974635E+001 1.00000000E+000 /chi(b-c)/4 220040000 -6.914347706855956E+000 1.00000000E+000 /chi(b-c)/4 110610000 -5.179059915432273E+001 5.00000000E+000 /chi.ab 220610000 3.957321419833532E+001 1.00000000E+000 /chi.ab 10010000 1.000000000000000E-025 9.99999970E-037 /M.aa {+IMJ -20010000 1.000000000000000E-025 1.00000000E-037 /M.aa {+IMJ 10020000 1.000000000000000E-025 9.99999970E-037 /M.bb {+IMJ -20020000 1.000000000000000E-025 1.00000000E-037 /M.bb {+IMJ 10030000 1.089646558066034E-003 9.99999970E+000 /M.cc {+IMJ 20030000 8.255502508842618E-004 1.00000000E+000 /M.cc {+IMJ ! !-------------------------------------------------------------------------------- ! ! wszystko zafixowane ABC+ detki z MMW 2,2-dichloropropane 37:Cl Wed May 02 23:54:58 2007 20 45 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0, , , 0 , , 10000 3.641284421340652E+003 1.00000000E-030 /A 20000 2.408885599536444E+003 1.00000000E-030 /B 30000 2.113886442630532E+003 1.00000000E-030 /C 200 -4.008269560000003E-004 1.00000000E-035 /-DJ 1100 1.850052230000000E-004 1.00000000E-035 /-DJK 2000 -8.310820500000009E-004 1.00000000E-035 /-DK 40100 -7.988600500000005E-005 1.00000000E-035 /-delJ 41000 -1.554343400000000E-004 1.00000000E-035 /-delK 110010000 -5.582260527285585E+001 1.00000000E-035 /chi.aa*3/2 220010000 -4.398944050000000E+001 1.00000000E-037 /chi.aa*3/2 110040000 -9.415548091398776E+000 1.00000000E-035 /chi(b-c)/4 220040000 -7.419660000000000E+000 1.00000000E-037 /chi(b-c)/4 110610000 -5.109993925914595E+001 5.00000000E-035 /chi.ab 220610000 4.026787900000000E+001 1.00000000E-037 /chi.ab 10010000 1.000000000000000E-025 9.99999970E-037 /M.aa {+IMJ -20010000 1.000000000000000E-025 1.00000000E-037 /M.aa {+IMJ 10020000 1.000000000000000E-025 9.99999970E-037 /M.bb {+IMJ -20020000 1.000000000000000E-025 1.00000000E-037 /M.bb {+IMJ 10030000 1.372461220153180E-003 9.99999970E-030 /M.cc {+IMJ -20030000 1.372461220153180E-003 1.00000000E-037 /M.cc {+IMJ ! ! ! 2,2-dichloropropane 37:Cl Wed May 09 23:54:19 2007 20 48 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 ,21.0,21.0, , , 0 , , 10000 3.641284421340652E+003 1.00000000E-030 /A 20000 2.408885599536444E+003 1.00000000E-030 /B 30000 2.113886442630532E+003 1.00000000E-030 /C 200 -4.008269560000003E-004 1.00000000E-035 /-DJ 1100 1.850052230000000E-004 1.00000000E-035 /-DJK 2000 -8.310820500000010E-004 1.00000000E-035 /-DK 40100 -7.988600500000009E-005 1.00000000E-035 /-delJ 41000 -1.554343400000000E-004 1.00000000E-035 /-delK 110010000 -5.190250810062296E+001 1.00000000E+000 /chi.aa*3/2 220010000 -4.703018605744909E+001 1.00000000E+000 /chi.aa*3/2 110040000 -1.006922818175722E+001 1.00000000E+000 /chi(b-c)/4 220040000 -6.916547848244223E+000 1.00000000E+000 /chi(b-c)/4 110610000 -5.109993925914595E+001 5.00000000E-035 /chi.ab 220610000 4.026787900000000E+001 1.00000000E-037 /chi.ab 10010000 1.000000000000000E-025 9.99999970E-037 /M.aa {+IMJ -20010000 1.000000000000000E-025 1.00000000E-037 /M.aa {+IMJ 10020000 1.000000000000000E-025 9.99999970E-037 /M.bb {+IMJ -20020000 1.000000000000000E-025 1.00000000E-037 /M.bb {+IMJ 10030000 1.372461220153180E-003 9.99999970E-030 /M.cc {+IMJ -20030000 1.372461220153180E-003 1.00000000E-037 /M.cc {+IMJ ! ! RMS= 0.85 2,2-dichloropropane 37:Cl Fri May 11 22:22:51 2007 20 49 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 ,21.0,21.0, , , 0 , , 10000 3.641284421340652E+003 1.00000000E-030 /A 20000 2.408885599536444E+003 1.00000000E-030 /B 30000 2.113886442630532E+003 1.00000000E-030 /C 200 -4.008269560000003E-004 1.00000000E-035 /-DJ 1100 1.850052230000000E-004 1.00000000E-035 /-DJK 2000 -8.310820500000010E-004 1.00000000E-035 /-DK 40100 -7.988600500000009E-005 1.00000000E-035 /-delJ 41000 -1.554343400000000E-004 1.00000000E-035 /-delK 110010000 -5.190212782457656E+001 1.00000000E+000 /chi.aa*3/2 220010000 -4.703057952518351E+001 1.00000000E+000 /chi.aa*3/2 110040000 -1.006915394996598E+001 1.00000000E+000 /chi(b-c)/4 220040000 -6.916591124614500E+000 1.00000000E+000 /chi(b-c)/4 110610000 -5.109993925914595E+001 5.00000000E-037 /chi.ab 220610000 4.026787900000000E+001 1.00000000E-037 /chi.ab 10010000 1.000000000000000E-025 9.99999970E-037 /M.aa {+IMJ -20010000 1.000000000000000E-025 1.00000000E-037 /M.aa {+IMJ 10020000 1.000000000000000E-025 9.99999970E-037 /M.bb {+IMJ -20020000 1.000000000000000E-025 1.00000000E-037 /M.bb {+IMJ 10030000 1.372461220153180E-003 9.99999970E-030 /M.cc {+IMJ -20030000 1.372461220153180E-003 1.00000000E-037 /M.cc {+IMJ ! ! ! RMS= 0.76 2,2-dichloropropane 37:Cl Mon May 14 18:17:49 2007 20 69 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 ,21.0,21.0, , , 0 , , 10000 3.641284421340652E+003 1.00000000E-030 /A 20000 2.408885599536444E+003 1.00000000E-030 /B 30000 2.113886442630532E+003 1.00000000E-030 /C 200 -4.008269560000003E-004 1.00000000E-035 /-DJ 1100 1.850052230000000E-004 1.00000000E-035 /-DJK 2000 -8.310820500000010E-004 1.00000000E-035 /-DK 40100 -7.988600500000009E-005 1.00000000E-035 /-delJ 41000 -1.554343400000000E-004 1.00000000E-035 /-delK 110010000 -5.190507817851239E+001 1.00000000E+000 /chi.aa*3/2 220010000 -4.702812719272711E+001 1.00000000E+000 /chi.aa*3/2 110040000 -1.006889783010401E+001 1.00000000E+000 /chi(b-c)/4 220040000 -6.916408434439883E+000 1.00000000E+000 /chi(b-c)/4 110610000 -5.132181240873177E+001 5.00000000E+000 /chi.ab 220610000 3.989077663216416E+001 1.00000000E+000 /chi.ab 10010000 1.000000000000000E-025 9.99999970E-037 /M.aa {+IMJ -20010000 1.000000000000000E-025 1.00000000E-037 /M.aa {+IMJ 10020000 1.000000000000000E-025 9.99999970E-037 /M.bb {+IMJ -20020000 1.000000000000000E-025 1.00000000E-037 /M.bb {+IMJ 10030000 1.372461220153180E-003 9.99999970E-030 /M.cc {+IMJ -20030000 1.372461220153180E-003 1.00000000E-037 /M.cc {+IMJ ! !------------------------------------------------------------------------------- ! ! Final gs of 37Cl: ! 37:Cl 2,2 Dichloropropane Thu May 12 21:39:20 2011 13 888 5 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 s 1 2 0, , , , , , , ,,,,, 10000 3.641284336527664E+003 1.00000000E+020 /A 20000 2.408886128574068E+003 1.00000000E+020 /B 30000 2.113887091976072E+003 1.00000000E+020 /C 200 -4.011026801031299E-004 1.00000000E+020 /-DJ 1100 1.854376962295721E-004 1.00000000E+020 /-DJK 2000 -8.314020321277340E-004 1.00000000E+020 /-DK 40100 -7.990163877374202E-005 1.00000000E+020 /-dJ 41000 -1.546007308448636E-004 1.00000000E+020 /-dK 300 1.095221478447029E-010 1.00000000E+020 /HJ 1200 2.496965365883931E-010 1.00000000E+020 /HJK 2100 -1.390548655301915E-009 1.00000000E+020 /HKJ 3000 1.846375165205317E-009 1.00000000E+020 /HK 40200 3.589993657210546E-011 1.00000000E+020 /hJ ! !-------------------------------------------------------------------------------