35ClONO2 (v6=1,v9=1) [0] <-> v5=1 [1] 555 cm-1 Mon Jul 17 22:08:47 2006 52 2509 20 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.201653334600544E+004 1.00000000E+003 /A 20000 2.767103110931277E+003 1.00000000E+002 /B 30000 2.254135387446694E+003 1.00000000E+002 /C 200 -5.510364282453740E-004 1.00000000E+000 /-DJ 1100 -3.691651513774815E-003 1.00000000E+000 /-DJK 2000 -8.552773035163963E-003 1.00000000E+000 /-DK 40100 -9.654150241425352E-005 1.00000000E+000 /-dJ 41000 -2.527784756303002E-003 1.00000000E+000 /-dK 300 -1.639341528398681E-010 1.00000000E+000 /HJ 1200 -2.720343059483313E-009 1.00000000E+000 /HJK 2100 -2.372000000000000E-008 1.00000000E-037 /HKJ 3000 4.550000000000000E-008 1.00000000E-037 /HK 40200 -1.911000000000000E-011 1.00000000E-035 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-037 /hK 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_v6v9 10011 1.205215199073210E+004 1.00000000E+003 /A 20011 2.769271654301991E+003 1.00000000E+002 /B 30011 2.248402692802508E+003 1.00000000E+002 /C 211 -5.428016800836360E-004 1.00000000E+000 /-DJ 1111 -3.602232046101969E-003 1.00000000E+000 /-DJK 2011 -9.696544767894366E-003 1.00000000E+000 /-DK 40111 -9.862732711440837E-005 1.00000000E+000 /-dJ 41011 -2.650760088701056E-003 1.00000000E+000 /-dK 311 -1.534004097593118E-010 1.00000000E+000 /HJ 1211 -2.582069566503251E-009 1.00000000E+000 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-035 /hJ 41111 -1.640000000000000E-009 1.00000000E-037 /hJK 42011 4.210000000000001E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 1.236542810487854E+005 1.00000000E+005 /E_v5 200001 1.644696923139215E+003 1.00000000E+005 /Ga 200101 -2.354728641297627E-003 1.00000000E+000 /GaJ 201001 2.430039076470564E-002 1.00000000E+000 /GaK 200201 1.000000000000000E-025 1.00000000E-035 /GaJJ 201101 1.000000000000000E-025 1.00000000E-035 /GaJK 202001 1.000000000000000E-025 1.00000000E-035 /GaKK 203001 1.000000000000000E-025 1.00000000E-035 /GaKKK 210001 1.000000000000000E-025 1.00000000E-035 /Fbc 400001 4.015692134379297E+002 1.00000000E+005 /Gb 400101 2.500294828968698E-005 1.00000000E+000 /GbJ 401001 1.000000000000000E-025 1.00000000E-035 /GbK 400201 1.000000000000000E-025 1.00000000E-035 /GbJJ 401101 1.000000000000000E-025 1.00000000E-035 /GbJK 402001 1.000000000000000E-025 1.00000000E-035 /GbKK 403001 1.000000000000000E-025 1.00000000E-035 /GbKKK 410001 1.000000000000000E-025 1.00000000E-035 /Fac ! !----------------------------------------------------------------------- ! An alternative S-reduction fit to the one below ! ! 10 rejected ! RMS ERROR= 0.68772 0.68772 ! ! 35ClONO2 (v6=1,v9=1) [0] <-> v5=1 [1] 555 cm-1 Mon Jul 17 21:57:08 2006 48 2509 20 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.201651843960967E+004 1.00000000E+003 /A 20000 2.767098048528778E+003 1.00000000E+002 /B 30000 2.254140312172752E+003 1.00000000E+002 /C 200 -5.169067674946551E-004 1.00000000E+037 /-DJ 1100 -3.896467590647653E-003 1.00000000E+037 /-DJK 2000 -8.305190403793619E-003 1.00000000E+037 /-DK 40100 -9.653060510009588E-005 1.00000000E+037 /d1 50000 -1.704116148902925E-005 1.00000000E+037 /d2 300 -1.569569558226754E-010 1.00000000E+037 /HJ 1200 -5.247472362678277E-009 1.00000000E+037 /HJK 2100 -1.504000000000000E-008 1.00000000E-037 /HKJ 3000 3.915000000000000E-008 1.00000000E-037 /HK 40200 -2.388000000000000E-011 1.00000000E-037 /h1 50100 -4.463000000000001E-012 1.00000000E-037 /h2 60000 4.716000000000001E-012 1.00000000E-037 /h3 0 1.000000000000000E-025 1.00000000E-035 /E_v6v9 10011 1.205215415545977E+004 1.00000000E+003 /A 20011 2.769266043751066E+003 1.00000000E+002 /B 30011 2.248408132263442E+003 1.00000000E+002 /C 211 -5.066868532021015E-004 1.00000000E+037 /-DJ 1111 -3.818954094516382E-003 1.00000000E+037 /-DJK 2011 -9.452339266460774E-003 1.00000000E+037 /-DK 40111 -9.863467133557649E-005 1.00000000E+037 /d1 50011 -1.807748475540147E-005 1.00000000E+037 /d2 311 -1.432264605956011E-010 1.00000000E+037 /HJ 1211 -5.267952748039165E-009 1.00000000E+037 /HJK 2111 -1.504000000000000E-008 1.00000000E-037 /HKJ 3011 3.914000000000001E-008 1.00000000E-037 /HK 40211 -2.388000000000000E-011 1.00000000E-037 /h1 50111 -4.463000000000001E-012 1.00000000E-037 /h2 60011 4.716000000000001E-012 1.00000000E-037 /h3 11 1.236539745817796E+005 1.00000000E+005 /E_v5 200001 1.644528656227925E+003 1.00000000E+005 /Ga 200101 -2.322535033096089E-003 1.00000000E+000 /GaJ 201001 2.130682994220341E-002 1.00000000E+000 /GaK 200201 1.000000000000000E-025 1.00000000E-035 /GaJJ 201101 1.000000000000000E-025 1.00000000E-035 /GaJK 202001 1.000000000000000E-025 1.00000000E-035 /GaKK 203001 1.000000000000000E-025 1.00000000E-035 /GaKKK 210001 1.000000000000000E-025 1.00000000E-035 /Fbc 400001 4.015821611597806E+002 1.00000000E+005 /Gb 400101 4.457880906964387E-005 1.00000000E+000 /GbJ 401001 1.000000000000000E-025 1.00000000E-035 /GbK 400201 1.000000000000000E-025 1.00000000E-035 /GbJJ 401101 1.000000000000000E-025 1.00000000E-035 /GbJK 402001 1.000000000000000E-025 1.00000000E-035 /GbKK 403001 1.000000000000000E-025 1.00000000E-035 /GbKKK 410001 1.000000000000000E-025 1.00000000E-035 /Fac ! !----------------------------------------------------------------------- ! Best A-reduction fit ! up to Ka=22 and with interstate transitions ! ! 10 rejected ! RMS ERROR= 0.68094 0.68094 ! 35ClONO2 (v6=1,v9=1) [0] <-> v5=1 [1] 555 cm-1 Mon Jul 17 18:06:03 2006 52 2509 20 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.201653334600544E+004 1.00000000E+003 /A 20000 2.767103110931277E+003 1.00000000E+002 /B 30000 2.254135387446694E+003 1.00000000E+002 /C 200 -5.510364282453740E-004 1.00000000E+000 /-DJ 1100 -3.691651513774815E-003 1.00000000E+000 /-DJK 2000 -8.552773035163963E-003 1.00000000E+000 /-DK 40100 -9.654150241425352E-005 1.00000000E+000 /-dJ 41000 -2.527784756303002E-003 1.00000000E+000 /-dK 300 -1.639341528398681E-010 1.00000000E+000 /HJ 1200 -2.720343059483313E-009 1.00000000E+000 /HJK 2100 -2.372000000000000E-008 1.00000000E-037 /HKJ 3000 4.550000000000000E-008 1.00000000E-037 /HK 40200 -1.911000000000000E-011 1.00000000E-035 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-037 /hK 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_v6v9 10011 1.205215199073210E+004 1.00000000E+003 /A 20011 2.769271654301991E+003 1.00000000E+002 /B 30011 2.248402692802508E+003 1.00000000E+002 /C 211 -5.428016800836359E-004 1.00000000E+000 /-DJ 1111 -3.602232046101969E-003 1.00000000E+000 /-DJK 2011 -9.696544767894366E-003 1.00000000E+000 /-DK 40111 -9.862732711440837E-005 1.00000000E+000 /-dJ 41011 -2.650760088701056E-003 1.00000000E+000 /-dK 311 -1.534004097593118E-010 1.00000000E+000 /HJ 1211 -2.582069566503251E-009 1.00000000E+000 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-035 /hJ 41111 -1.640000000000000E-009 1.00000000E-037 /hJK 42011 4.210000000000001E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 1.236542810487854E+005 1.00000000E+005 /E_v5 200001 1.644696923139215E+003 1.00000000E+005 /Ga 200101 -2.354728641297627E-003 1.00000000E+000 /GaJ 201001 2.430039076470564E-002 1.00000000E+000 /GaK 200201 1.000000000000000E-025 1.00000000E-035 /GaJJ 201101 1.000000000000000E-025 1.00000000E-035 /GaJK 202001 1.000000000000000E-025 1.00000000E-035 /GaKK 203001 1.000000000000000E-025 1.00000000E-035 /GaKKK 210001 1.000000000000000E-025 1.00000000E-035 /Fbc 400001 4.015692134379297E+002 1.00000000E+005 /Gb 400101 2.500294828968698E-005 1.00000000E+000 /GbJ 401001 1.000000000000000E-025 1.00000000E-035 /GbK 400201 1.000000000000000E-025 1.00000000E-035 /GbJJ 401101 1.000000000000000E-025 1.00000000E-035 /GbJK 402001 1.000000000000000E-025 1.00000000E-035 /GbKK 403001 1.000000000000000E-025 1.00000000E-035 /GbKKK 410001 1.000000000000000E-025 1.00000000E-035 /Fac ! !-----------------------------------------------------------------------