35ClONO2: 2v9 (0) <-> v7 (1) Fri Sep 19 09:20:55 2008 38 4094 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190671980538751E+004 1.00000000E+000 /A 20000 2.776735925847729E+003 1.00000000E+000 /B 30000 2.266220136444653E+003 1.00000000E+000 /C 200 -5.160775115837405E-004 1.00000000E+000 /-DJ 1100 -3.830034689828683E-003 1.00000000E+000 /-DJK 2000 -7.188302046442475E-003 1.00000000E+000 /-DK 40100 -9.562210522136201E-005 1.00000000E+000 /d1 50000 -1.634842856431279E-005 1.00000000E+000 /d2 300 -1.361571384073919E-010 1.00000000E-037 /HJ 1200 -5.812224407048107E-009 1.00000000E-037 /HJK 2100 -1.504191346145144E-008 1.00000000E-037 /HKJ 3000 3.914788365447497E-008 1.00000000E-037 /HK 40200 -2.388228465386138E-011 1.00000000E-037 /h1 50100 -4.463065002301093E-012 1.00000000E-037 /h2 60000 4.716190525028681E-012 1.00000000E-037 /h3 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.214330929973407E+004 1.00000000E+002 /A 20011 2.770792905794032E+003 1.00000000E+002 /B 30011 2.250345757350399E+003 1.00000000E+002 /C 211 -4.999749852621375E-004 1.00000000E+000 /-DJ 1111 -3.922297807205767E-003 1.00000000E+000 /-DJK 2011 -1.068312074829489E-002 1.00000000E+000 /-DK 40111 -9.642012385982405E-005 1.00000000E+000 /d1 50011 -1.889955723013741E-005 1.00000000E+000 /d2 311 -1.361571384073919E-010 1.00000000E-037 /HJ 1211 -5.812224407048107E-009 1.00000000E-037 /HJK 2111 -1.504191346145144E-008 1.00000000E-037 /HKJ 3011 3.914788365447497E-008 1.00000000E-037 /HK 40211 -2.388228465386138E-011 1.00000000E-037 /h1 50111 -4.463065002301093E-012 1.00000000E-037 /h2 60011 4.716190525028681E-012 1.00000000E-037 /h3 11 4.117334345140964E+005 1.00000000E+035 /E_v7 600001 3.359765891861622E+002 1.00000000E+035 /Gc 600101 -6.433764844934053E-004 1.00000000E+035 /GcJ 601001 -4.261147910711858E-003 1.00000000E+035 /GcK 1 1.451678714764660E+005 1.00000000E+006 /Fermi 101 -1.138249182184966E-001 1.00000000E+002 /Fermi.J 1001 -8.068316541840385E+000 1.00000000E+003 /Fermi.K ! !----------------------------------------------------------------------- ! PAR file cleaned up from constants not used in fit ! ! RMS ERROR= 0.45345 0.45345 ! 35ClONO2: 2v9 (0) <-> v7 (1) Sat Sep 06 20:50:34 2008 38 4094 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190671980538751E+004 1.00000000E+000 /A 20000 2.776735925847729E+003 1.00000000E+000 /B 30000 2.266220136444653E+003 1.00000000E+000 /C 200 -5.160775115837404E-004 1.00000000E+000 /-DJ 1100 -3.830034689828683E-003 1.00000000E+000 /-DJK 2000 -7.188302046442475E-003 1.00000000E+000 /-DK 40100 -9.562210522136201E-005 1.00000000E+000 /d1 50000 -1.634842856431279E-005 1.00000000E+000 /d2 300 -1.361571384073919E-010 1.00000000E-037 /HJ 1200 -5.812224407048107E-009 1.00000000E-037 /HJK 2100 -1.504191346145144E-008 1.00000000E-037 /HKJ 3000 3.914788365447497E-008 1.00000000E-037 /HK 40200 -2.388228465386138E-011 1.00000000E-037 /h1 50100 -4.463065002301093E-012 1.00000000E-037 /h2 60000 4.716190525028681E-012 1.00000000E-037 /h3 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.214330929973407E+004 1.00000000E+002 /A 20011 2.770792905794032E+003 1.00000000E+002 /B 30011 2.250345757350399E+003 1.00000000E+002 /C 211 -4.999749852621375E-004 1.00000000E+000 /-DJ 1111 -3.922297807205767E-003 1.00000000E+000 /-DJK 2011 -1.068312074829489E-002 1.00000000E+000 /-DK 40111 -9.642012385982405E-005 1.00000000E+000 /d1 50011 -1.889955723013741E-005 1.00000000E+000 /d2 311 -1.361571384073919E-010 1.00000000E-037 /HJ 1211 -5.812224407048107E-009 1.00000000E-037 /HJK 2111 -1.504191346145144E-008 1.00000000E-037 /HKJ 3011 3.914788365447497E-008 1.00000000E-037 /HK 40211 -2.388228465386138E-011 1.00000000E-037 /h1 50111 -4.463065002301093E-012 1.00000000E-037 /h2 60011 4.716190525028681E-012 1.00000000E-037 /h3 11 4.117334345140964E+005 1.00000000E+035 /E_v7 600001 3.359765891861622E+002 1.00000000E+035 /Gc 600101 -6.433764844934053E-004 1.00000000E+035 /GcJ 601001 -4.261147910711858E-003 1.00000000E+035 /GcK 1 1.451678714764660E+005 1.00000000E+006 /Fermi 101 -1.138249182184966E-001 1.00000000E+002 /Fermi.J 1001 -8.068316541840385E+000 1.00000000E+003 /Fermi.K ! !----------------------------------------------------------------------- ! S-reduction: v9=2 and v7=1 sextics from gs, only quartics, DE, and ! three interaction constants from G sequence and 3 from ! F sequence ! ! RMS ERROR= 0.45345 0.45345 ! 35ClONO2: 2v9 (0) <-> v7 (1) Sat Oct 27 22:23:27 2007 61 4094 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190671980538751E+004 1.00000000E+000 /A 20000 2.776735925847729E+003 1.00000000E+000 /B 30000 2.266220136444653E+003 1.00000000E+000 /C 200 -5.160775115837401E-004 1.00000000E+000 /-DJ 1100 -3.830034689828683E-003 1.00000000E+000 /-DJK 2000 -7.188302046442475E-003 1.00000000E+000 /-DK 40100 -9.562210522136201E-005 1.00000000E+000 /d1 50000 -1.634842856431279E-005 1.00000000E+000 /d2 300 -1.361571384073919E-010 1.00000000E-037 /HJ 1200 -5.812224407048107E-009 1.00000000E-037 /HJK 2100 -1.504191346145144E-008 1.00000000E-037 /HKJ 3000 3.914788365447497E-008 1.00000000E-037 /HK 40200 -2.388228465386138E-011 1.00000000E-037 /h1 50100 -4.463065002301093E-012 1.00000000E-037 /h2 60000 4.716190525028681E-012 1.00000000E-037 /h3 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.214330929973407E+004 1.00000000E+002 /A 20011 2.770792905794032E+003 1.00000000E+002 /B 30011 2.250345757350399E+003 1.00000000E+002 /C 211 -4.999749852621375E-004 1.00000000E+000 /-DJ 1111 -3.922297807205767E-003 1.00000000E+000 /-DJK 2011 -1.068312074829489E-002 1.00000000E+000 /-DK 40111 -9.642012385982405E-005 1.00000000E+000 /d1 50011 -1.889955723013741E-005 1.00000000E+000 /d2 311 -1.361571384073919E-010 1.00000000E-037 /HJ 1211 -5.812224407048107E-009 1.00000000E-037 /HJK 2111 -1.504191346145144E-008 1.00000000E-037 /HKJ 3011 3.914788365447497E-008 1.00000000E-037 /HK 40211 -2.388228465386138E-011 1.00000000E-037 /h1 50111 -4.463065002301093E-012 1.00000000E-037 /h2 60011 4.716190525028681E-012 1.00000000E-037 /h3 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 4.117334345140964E+005 1.00000000E+035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 3.359765891861622E+002 1.00000000E+035 /Gc 600101 -6.433764844934053E-004 1.00000000E+035 /GcJ 601001 -4.261147910711858E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 1.000000000000000E-025 1.00000000E-035 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.000000000000000E-025 1.00000000E-035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 1.000000000000000E-025 1.00000000E-035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 1.000000000000000E-025 1.00000000E-035 /C3J 621001 1.000000000000000E-025 1.00000000E-035 /C3K 1 1.451678714764660E+005 1.00000000E+006 /Fermi 101 -1.138249182184966E-001 1.00000000E+002 /Fermi.J 1001 -8.068316541840385E+000 1.00000000E+003 /Fermi.K 201 1.000000000000000E-025 1.00000000E-035 /Fermi.JJ 1101 1.000000000000000E-025 1.00000000E-035 /Fermi.JK 2001 1.000000000000000E-025 1.00000000E-035 /Fermi.KK ! !----------------------------------------------------------------------- ! 35ClONO2: 2v9 (0) <-> v7 (1) Sat Oct 27 11:52:58 2007 61 4094 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190700625894108E+004 1.00000000E+000 /A 20000 2.776732157574502E+003 1.00000000E+000 /B 30000 2.266229515766113E+003 1.00000000E+000 /C 200 -5.484884825679256E-004 1.00000000E+000 /-DJ 1100 -3.633933499877744E-003 1.00000000E+000 /-DJK 2000 -7.559838660777892E-003 1.00000000E+000 /-DK 40100 -9.597333936483005E-005 1.00000000E+000 /-dJ 41000 -2.390803592493111E-003 1.00000000E+000 /-dK 300 -1.269849807572302E-010 1.00000000E+000 /HJ 1200 -3.230000000000000E-009 1.00000000E-037 /HJK 2100 -2.372000000000000E-008 1.00000000E-035 /HKJ 3000 4.550000000000000E-008 1.00000000E-035 /HK 40200 -1.911000000000000E-011 1.00000000E-037 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-035 /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_2v9 10011 1.214303931485364E+004 1.00000000E+002 /A 20011 2.770807149269545E+003 1.00000000E+002 /B 30011 2.250325597826715E+003 1.00000000E+002 /C 211 -5.379450552652211E-004 1.00000000E+000 /-DJ 1111 -3.695113766467364E-003 1.00000000E+000 /-DJK 2011 -1.078851573222998E-002 1.00000000E+000 /-DK 40111 -9.607577881547437E-005 1.00000000E+000 /-dJ 41011 -2.813131134244481E-003 1.00000000E+000 /-dK 311 -1.731714876132472E-010 1.00000000E+000 /HJ 1211 -3.230000000000000E-009 1.00000000E-037 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-037 /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 4.099058751574872E+005 1.00000000E+035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 3.371995546584410E+002 1.00000000E+035 /Gc 600101 -4.747461077891963E-004 1.00000000E+035 /GcJ 601001 -8.141711126656601E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 2.412898809950377E-006 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.000000000000000E-025 1.00000000E-035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 1.000000000000000E-025 1.00000000E-035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 1.000000000000000E-025 1.00000000E-035 /C3J 621001 1.000000000000000E-025 1.00000000E-035 /C3K 1 1.464558023963328E+005 1.00000000E+006 /Fermi 101 -1.451360823785328E-001 1.00000000E+002 /Fermi.J 1001 -6.834852980636180E+000 1.00000000E+003 /Fermi.K 201 1.000000000000000E-025 1.00000000E-035 /Fermi.JJ 1101 1.000000000000000E-025 1.00000000E-035 /Fermi.JK 2001 1.000000000000000E-025 1.00000000E-035 /Fermi.KK ! !----------------------------------------------------------------------- ! Final cleaned up and without Q's ! ! RMS ERROR= 0.45972 0.45972 ! 35ClONO2: 2v9 (0) <-> v7 (1) Sat Oct 27 11:52:58 2007 61 4094 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190700625894108E+004 1.00000000E+000 /A 20000 2.776732157574502E+003 1.00000000E+000 /B 30000 2.266229515766113E+003 1.00000000E+000 /C 200 -5.484884825679256E-004 1.00000000E+000 /-DJ 1100 -3.633933499877744E-003 1.00000000E+000 /-DJK 2000 -7.559838660777892E-003 1.00000000E+000 /-DK 40100 -9.597333936483005E-005 1.00000000E+000 /-dJ 41000 -2.390803592493111E-003 1.00000000E+000 /-dK 300 -1.269849807572302E-010 1.00000000E+000 /HJ 1200 -3.230000000000000E-009 1.00000000E-037 /HJK 2100 -2.372000000000000E-008 1.00000000E-035 /HKJ 3000 4.550000000000000E-008 1.00000000E-035 /HK 40200 -1.911000000000000E-011 1.00000000E-037 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-035 /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_2v9 10011 1.214303931485364E+004 1.00000000E+002 /A 20011 2.770807149269545E+003 1.00000000E+002 /B 30011 2.250325597826715E+003 1.00000000E+002 /C 211 -5.379450552652211E-004 1.00000000E+000 /-DJ 1111 -3.695113766467364E-003 1.00000000E+000 /-DJK 2011 -1.078851573222998E-002 1.00000000E+000 /-DK 40111 -9.607577881547437E-005 1.00000000E+000 /-dJ 41011 -2.813131134244481E-003 1.00000000E+000 /-dK 311 -1.731714876132472E-010 1.00000000E+000 /HJ 1211 -3.230000000000000E-009 1.00000000E-037 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-037 /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 4.099058751574872E+005 1.00000000E+035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 3.371995546584410E+002 1.00000000E+035 /Gc 600101 -4.747461077891963E-004 1.00000000E+035 /GcJ 601001 -8.141711126656601E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 2.412898809950377E-006 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.000000000000000E-025 1.00000000E-035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 1.000000000000000E-025 1.00000000E-035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 1.000000000000000E-025 1.00000000E-035 /C3J 621001 1.000000000000000E-025 1.00000000E-035 /C3K 1 1.464558023963328E+005 1.00000000E+006 /Fermi 101 -1.451360823785328E-001 1.00000000E+002 /Fermi.J 1001 -6.834852980636180E+000 1.00000000E+003 /Fermi.K 201 1.000000000000000E-025 1.00000000E-035 /Fermi.JJ 1101 1.000000000000000E-025 1.00000000E-035 /Fermi.JK 2001 1.000000000000000E-025 1.00000000E-035 /Fermi.KK ! !----------------------------------------------------------------------- ! After dealing with the many split blends found in the data ! Some Qs added and GKK ! ! RMS ERROR= 0.47899 0.47899 ! 35ClONO2: 2v9 (0) <-> v7 (1) Fri Oct 26 16:24:41 2007 61 4052 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190698060020061E+004 1.00000000E+000 /A 20000 2.776732575881645E+003 1.00000000E+000 /B 30000 2.266230194783375E+003 1.00000000E+000 /C 200 -5.485426556955981E-004 1.00000000E+000 /-DJ 1100 -3.633841930384736E-003 1.00000000E+000 /-DJK 2000 -7.459778562894771E-003 1.00000000E+000 /-DK 40100 -9.596703685420343E-005 1.00000000E+000 /-dJ 41000 -2.392530364656821E-003 1.00000000E+000 /-dK 300 -1.233731452132367E-010 1.00000000E+000 /HJ 1200 -3.230000000000000E-009 1.00000000E-037 /HJK 2100 -2.372000000000000E-008 1.00000000E-035 /HKJ 3000 4.550000000000000E-008 1.00000000E-035 /HK 40200 -1.911000000000000E-011 1.00000000E-037 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-035 /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_2v9 10011 1.214299539126009E+004 1.00000000E+002 /A 20011 2.770805702811137E+003 1.00000000E+002 /B 30011 2.250325981180865E+003 1.00000000E+002 /C 211 -5.379614002594410E-004 1.00000000E+000 /-DJ 1111 -3.694838326084840E-003 1.00000000E+000 /-DJK 2011 -1.069962390111733E-002 1.00000000E+000 /-DK 40111 -9.606075012602564E-005 1.00000000E+000 /-dJ 41011 -2.813606512850681E-003 1.00000000E+000 /-dK 311 -1.755640253626274E-010 1.00000000E+000 /HJ 1211 -3.230000000000000E-009 1.00000000E-037 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-037 /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 4.099584361932465E+005 1.00000000E+035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 3.371803969385802E+002 1.00000000E+035 /Gc 600101 -4.702159042285841E-004 1.00000000E+035 /GcJ 601001 -8.116903228481945E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 2.319689947721270E-006 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.000000000000000E-025 1.00000000E-035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 1.000000000000000E-025 1.00000000E-035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 1.000000000000000E-025 1.00000000E-035 /C3J 621001 1.000000000000000E-025 1.00000000E-035 /C3K 1 1.464177683704128E+005 1.00000000E+006 /Fermi 101 -1.434812930101141E-001 1.00000000E+002 /Fermi.J 1001 -6.837036929677081E+000 1.00000000E+003 /Fermi.K 201 1.000000000000000E-025 1.00000000E-035 /Fermi.JJ 1101 1.000000000000000E-025 1.00000000E-035 /Fermi.JK 2001 1.000000000000000E-025 1.00000000E-035 /Fermi.KK ! !----------------------------------------------------------------------- ! Without also F_JK, deviation appreciably worse, no more effect on ! intercorrelations (but there are only two lines above 3sigma!) ! ! RMS ERROR= 0.52407 0.52407 ! 35ClONO2: 2v9 (0) <-> v7 (1) Fri Oct 26 10:21:25 2007 61 4020 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190675309417564E+004 1.00000000E+000 /A 20000 2.776721023307147E+003 1.00000000E+000 /B 30000 2.266229248706794E+003 1.00000000E+000 /C 200 -5.483566653501734E-004 1.00000000E+000 /-DJ 1100 -3.634315405084665E-003 1.00000000E+000 /-DJK 2000 -7.446989151302891E-003 1.00000000E+000 /-DK 40100 -9.602861041745230E-005 1.00000000E+000 /-dJ 41000 -2.384233800856933E-003 1.00000000E+000 /-dK 300 -1.451000000000000E-010 1.00000000E-037 /HJ 1200 -3.230000000000000E-009 1.00000000E-037 /HJK 2100 -2.372000000000000E-008 1.00000000E-035 /HKJ 3000 4.550000000000000E-008 1.00000000E-035 /HK 40200 -1.911000000000000E-011 1.00000000E-037 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-035 /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_2v9 10011 1.214332888564628E+004 1.00000000E+002 /A 20011 2.770818645848166E+003 1.00000000E+002 /B 30011 2.250325915552477E+003 1.00000000E+002 /C 211 -5.381300080905683E-004 1.00000000E+000 /-DJ 1111 -3.694870868870497E-003 1.00000000E+000 /-DJK 2011 -1.107592408839801E-002 1.00000000E+000 /-DK 40111 -9.600226645266201E-005 1.00000000E+000 /-dJ 41011 -2.819036636636612E-003 1.00000000E+000 /-dK 311 -1.451000000000000E-010 1.00000000E-037 /HJ 1211 -3.230000000000000E-009 1.00000000E-037 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-037 /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 4.088530314890604E+005 1.00000000E+035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 3.361828797714929E+002 1.00000000E+035 /Gc 600101 -4.709735719207510E-004 1.00000000E+035 /GcJ 601001 -5.337741709911733E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 1.000000000000000E-025 1.00000000E-035 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.000000000000000E-025 1.00000000E-035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 1.000000000000000E-025 1.00000000E-035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 1.000000000000000E-025 1.00000000E-035 /C3J 621001 1.000000000000000E-025 1.00000000E-035 /C3K 1 1.471885466803177E+005 1.00000000E+006 /Fermi 101 -1.698982694680618E-001 1.00000000E+002 /Fermi.J 1001 -6.710737796551851E+000 1.00000000E+003 /Fermi.K 201 1.000000000000000E-025 1.00000000E-035 /Fermi.JJ 1101 1.000000000000000E-025 1.00000000E-035 /Fermi.JK 2001 1.000000000000000E-025 1.00000000E-035 /Fermi.KK ! !----------------------------------------------------------------------- ! Without also F_KK, deviation not dramatically worse not much ! effect on intercorrelations ! ! RMS ERROR= 0.48895 0.48894 ! 35ClONO2: 2v9 (0) <-> v7 (1) Fri Oct 26 10:18:05 2007 61 4020 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190677643804508E+004 1.00000000E+000 /A 20000 2.776707425000735E+003 1.00000000E+000 /B 30000 2.266217179692911E+003 1.00000000E+000 /C 200 -5.488590782916307E-004 1.00000000E+000 /-DJ 1100 -3.637852995893668E-003 1.00000000E+000 /-DJK 2000 -7.428619133264190E-003 1.00000000E+000 /-DK 40100 -9.585940800449109E-005 1.00000000E+000 /-dJ 41000 -2.385267810899578E-003 1.00000000E+000 /-dK 300 -1.451000000000000E-010 1.00000000E-037 /HJ 1200 -3.230000000000000E-009 1.00000000E-037 /HJK 2100 -2.372000000000000E-008 1.00000000E-035 /HKJ 3000 4.550000000000000E-008 1.00000000E-035 /HK 40200 -1.911000000000000E-011 1.00000000E-037 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-035 /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_2v9 10011 1.214330623247917E+004 1.00000000E+002 /A 20011 2.770832188307004E+003 1.00000000E+002 /B 30011 2.250337979963264E+003 1.00000000E+002 /C 211 -5.376191890106300E-004 1.00000000E+000 /-DJ 1111 -3.691208024513486E-003 1.00000000E+000 /-DJK 2011 -1.107890484483172E-002 1.00000000E+000 /-DK 40111 -9.616970054074544E-005 1.00000000E+000 /-dJ 41011 -2.817327955861347E-003 1.00000000E+000 /-dK 311 -1.451000000000000E-010 1.00000000E-037 /HJ 1211 -3.230000000000000E-009 1.00000000E-037 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-037 /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 4.088524477081082E+005 1.00000000E+035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 3.365350819587966E+002 1.00000000E+035 /Gc 600101 -5.142194380892412E-004 1.00000000E+035 /GcJ 601001 -5.843079517382464E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 1.000000000000000E-025 1.00000000E-035 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.000000000000000E-025 1.00000000E-035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 1.000000000000000E-025 1.00000000E-035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 1.000000000000000E-025 1.00000000E-035 /C3J 621001 1.000000000000000E-025 1.00000000E-035 /C3K 1 1.471884175877831E+005 1.00000000E+006 /Fermi 101 -1.883817552424565E-001 1.00000000E+002 /Fermi.J 1001 -6.645321291833525E+000 1.00000000E+003 /Fermi.K 201 1.000000000000000E-025 1.00000000E-035 /Fermi.JJ 1101 -2.153344186343992E-005 1.00000000E+000 /Fermi.JK 2001 1.000000000000000E-025 1.00000000E-035 /Fermi.KK ! !----------------------------------------------------------------------- ! Without F_JJ to reduce intercorrelations by a factor of two ! deviation only slightly worse ! ! RMS ERROR= 0.47373 0.47373 ! 35ClONO2: 2v9 (0) <-> v7 (1) Fri Oct 26 10:00:38 2007 61 4020 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190693107404990E+004 1.00000000E+000 /A 20000 2.776716170836775E+003 1.00000000E+000 /B 30000 2.266215578473956E+003 1.00000000E+000 /C 200 -5.488355506385483E-004 1.00000000E+000 /-DJ 1100 -3.634553255879794E-003 1.00000000E+000 /-DJK 2000 -7.401379916947550E-003 1.00000000E+000 /-DK 40100 -9.578060556345617E-005 1.00000000E+000 /-dJ 41000 -2.392398746119322E-003 1.00000000E+000 /-dK 300 -1.451000000000000E-010 1.00000000E-037 /HJ 1200 -3.230000000000000E-009 1.00000000E-037 /HJK 2100 -2.372000000000000E-008 1.00000000E-035 /HKJ 3000 4.550000000000000E-008 1.00000000E-035 /HK 40200 -1.911000000000000E-011 1.00000000E-037 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-035 /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_2v9 10011 1.214311916902467E+004 1.00000000E+002 /A 20011 2.770823245176242E+003 1.00000000E+002 /B 30011 2.250339818809267E+003 1.00000000E+002 /C 211 -5.376806869811455E-004 1.00000000E+000 /-DJ 1111 -3.694417274568761E-003 1.00000000E+000 /-DJK 2011 -1.097332447546223E-002 1.00000000E+000 /-DK 40111 -9.625467560055230E-005 1.00000000E+000 /-dJ 41011 -2.811394465090540E-003 1.00000000E+000 /-dK 311 -1.451000000000000E-010 1.00000000E-037 /HJ 1211 -3.230000000000000E-009 1.00000000E-037 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-037 /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 4.096784518378005E+005 1.00000000E+035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 3.360903449940262E+002 1.00000000E+035 /Gc 600101 -5.321320612474057E-004 1.00000000E+035 /GcJ 601001 -4.817041283943655E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 1.000000000000000E-025 1.00000000E-035 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.000000000000000E-025 1.00000000E-035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 1.000000000000000E-025 1.00000000E-035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 1.000000000000000E-025 1.00000000E-035 /C3J 621001 1.000000000000000E-025 1.00000000E-035 /C3K 1 1.466137826943430E+005 1.00000000E+006 /Fermi 101 -1.682127085132261E-001 1.00000000E+002 /Fermi.J 1001 -6.812609314898841E+000 1.00000000E+003 /Fermi.K 201 1.000000000000000E-025 1.00000000E-035 /Fermi.JJ 1101 -1.981780109999379E-005 1.00000000E+000 /Fermi.JK 2001 2.051965611636673E-004 1.00000000E+000 /Fermi.KK ! !----------------------------------------------------------------------- ! Further simplification - with four fewer constants and all interstates ! ! RMS ERROR= 0.46957 0.46957 ! ! Delta_2v9=-1.4464 expected -1.4479 ! Delta_v7= 0.5692 0.5668 ! 35ClONO2: 2v9 (0) <-> v7 (1) Fri Oct 26 09:56:47 2007 61 4020 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190655306598283E+004 1.00000000E+000 /A 20000 2.776674504964693E+003 1.00000000E+000 /B 30000 2.266193216860415E+003 1.00000000E+000 /C 200 -5.485458543811963E-004 1.00000000E+000 /-DJ 1100 -3.630191716861710E-003 1.00000000E+000 /-DJK 2000 -7.252659367124785E-003 1.00000000E+000 /-DK 40100 -9.570201990340114E-005 1.00000000E+000 /-dJ 41000 -2.382045374243232E-003 1.00000000E+000 /-dK 300 -1.451000000000000E-010 1.00000000E-037 /HJ 1200 -3.230000000000000E-009 1.00000000E-037 /HJK 2100 -2.372000000000000E-008 1.00000000E-035 /HKJ 3000 4.550000000000000E-008 1.00000000E-035 /HK 40200 -1.911000000000000E-011 1.00000000E-037 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-035 /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_2v9 10011 1.214348700439144E+004 1.00000000E+002 /A 20011 2.770864875982922E+003 1.00000000E+002 /B 30011 2.250362246673978E+003 1.00000000E+002 /C 211 -5.379850117725904E-004 1.00000000E+000 /-DJ 1111 -3.698748047767366E-003 1.00000000E+000 /-DJK 2011 -1.110663511181874E-002 1.00000000E+000 /-DK 40111 -9.633516610003629E-005 1.00000000E+000 /-dJ 41011 -2.822737756470579E-003 1.00000000E+000 /-dK 311 -1.451000000000000E-010 1.00000000E-037 /HJ 1211 -3.230000000000000E-009 1.00000000E-037 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-037 /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 4.081153736103973E+005 1.00000000E+035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 3.362242077667725E+002 1.00000000E+035 /Gc 600101 -5.374432689346567E-004 1.00000000E+035 /GcJ 601001 -5.024443100821147E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 1.000000000000000E-025 1.00000000E-035 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.000000000000000E-025 1.00000000E-035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 1.000000000000000E-025 1.00000000E-035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 1.000000000000000E-025 1.00000000E-035 /C3J 621001 1.000000000000000E-025 1.00000000E-035 /C3K 1 1.477001495801293E+005 1.00000000E+006 /Fermi 101 -2.400501070367620E-001 1.00000000E+002 /Fermi.J 1001 -6.598549957687439E+000 1.00000000E+003 /Fermi.K 201 1.284872679230788E-006 1.00000000E+000 /Fermi.JJ 1101 -3.030032560370478E-005 1.00000000E+000 /Fermi.JK 2001 2.112778154034728E-004 1.00000000E+000 /Fermi.KK ! !----------------------------------------------------------------------- ! ! C0 and DK0 finally floated and values are as expected ! ! ! 35ClONO2: 2v9 (0) <-> v7 (1) Thu Oct 25 23:59:52 2007 61 4000 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190647779148038E+004 1.00000000E+000 /A 20000 2.776678647561823E+003 1.00000000E+000 /B 30000 2.266204370820062E+003 1.00000000E+000 /C 200 -5.487815555151689E-004 1.00000000E+000 /-DJ 1100 -3.632677645804132E-003 1.00000000E+000 /-DJK 2000 -7.180695291393765E-003 1.00000000E+000 /-DK 40100 -9.562628086664393E-005 1.00000000E+000 /-dJ 41000 -2.378833754272552E-003 1.00000000E+000 /-dK 300 -1.451000000000000E-010 1.00000000E-037 /HJ 1200 -3.230000000000000E-009 1.00000000E-037 /HJK 2100 -2.372000000000000E-008 1.00000000E-035 /HKJ 3000 4.550000000000000E-008 1.00000000E-035 /HK 40200 -1.911000000000000E-011 1.00000000E-037 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-035 /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_2v9 10011 1.214356628411086E+004 1.00000000E+002 /A 20011 2.770860644426210E+003 1.00000000E+002 /B 30011 2.250351049522479E+003 1.00000000E+002 /C 211 -5.377417040795988E-004 1.00000000E+000 /-DJ 1111 -3.696117151484503E-003 1.00000000E+000 /-DJK 2011 -1.119029158602241E-002 1.00000000E+000 /-DK 40111 -9.640820200066586E-005 1.00000000E+000 /-dJ 41011 -2.826044455761111E-003 1.00000000E+000 /-dK 311 -1.451000000000000E-010 1.00000000E-037 /HJ 1211 -3.230000000000000E-009 1.00000000E-037 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-037 /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 4.078750304933662E+005 1.00000000E+035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 3.385629915852554E+002 1.00000000E+035 /Gc 600101 -8.689861562324419E-004 1.00000000E+035 /GcJ 601001 -7.532645529908021E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 2.815419697633030E-007 1.00000000E+000 /GcJK 602001 1.000000000000000E-025 1.00000000E-035 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.000000000000000E-025 1.00000000E-035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 1.000000000000000E-025 1.00000000E-035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK 620001 -6.593631516015619E-005 1.00000000E+000 /C3 620101 8.706231704828974E-009 1.00000000E+000 /C3J 621001 1.546949895622816E-007 1.00000000E+000 /C3K 1 1.478659984374049E+005 1.00000000E+006 /Fermi 101 -2.363500726599861E-001 1.00000000E+002 /Fermi.J 1001 -6.602161583354806E+000 1.00000000E+003 /Fermi.K 201 1.095176372937157E-006 1.00000000E+000 /Fermi.JJ 1101 -2.631767799860975E-005 1.00000000E+000 /Fermi.JK 2001 2.535014933704294E-004 1.00000000E+000 /Fermi.KK ! !----------------------------------------------------------------------- ! BINGO! As second below except that all Fab terms dropped - were ! clearly redundant ! ! ! RMS ERROR= 0.49347 0.49347 ! 35ClONO2: 2v9 (0) <-> v7 (1) Thu Oct 25 23:55:18 2007 61 4000 11 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190544983339640E+004 1.00000000E+000 /A 20000 2.776515116437758E+003 1.00000000E+000 /B 30000 2.266100000000000E+003 1.00000000E-035 /C 200 -5.469704141170057E-004 1.00000000E+000 /-DJ 1100 -3.593258920807307E-003 1.00000000E+000 /-DJK 2000 -6.900000000000004E-003 1.00000000E-030 /-DK 40100 -9.546196876643814E-005 1.00000000E+000 /-dJ 41000 -2.373279825702281E-003 1.00000000E+000 /-dK 300 -1.451000000000000E-010 1.00000000E-037 /HJ 1200 -3.230000000000000E-009 1.00000000E-037 /HJK 2100 -2.372000000000000E-008 1.00000000E-035 /HKJ 3000 4.550000000000000E-008 1.00000000E-035 /HK 40200 -1.911000000000000E-011 1.00000000E-037 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-035 /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_2v9 10011 1.214459105976176E+004 1.00000000E+002 /A 20011 2.771023707331462E+003 1.00000000E+002 /B 30011 2.250455410247188E+003 1.00000000E+002 /C 211 -5.396034618080416E-004 1.00000000E+000 /-DJ 1111 -3.736550324914146E-003 1.00000000E+000 /-DJK 2011 -1.144989370292530E-002 1.00000000E+000 /-DK 40111 -9.659867856448227E-005 1.00000000E+000 /-dJ 41011 -2.832358635990140E-003 1.00000000E+000 /-dK 311 -1.451000000000000E-010 1.00000000E-037 /HJ 1211 -3.230000000000000E-009 1.00000000E-037 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-037 /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 4.045769103143629E+005 1.00000000E+035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 3.489191306454134E+002 1.00000000E+035 /Gc 600101 4.214642984320512E-004 1.00000000E+035 /GcJ 601001 -2.463960502492057E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 -1.993532114293435E-006 1.00000000E+000 /GcJK 602001 1.000000000000000E-025 1.00000000E-035 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.000000000000000E-025 1.00000000E-035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 1.000000000000000E-025 1.00000000E-035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK 620001 -4.160834731773903E-004 1.00000000E+000 /C3 620101 -3.211896228829449E-008 1.00000000E+000 /C3J 621001 -1.294276745962947E-006 1.00000000E+000 /C3K 1 1.501155137874987E+005 1.00000000E+006 /Fermi 101 -4.845413135196098E-001 1.00000000E+002 /Fermi.J 1001 -6.369598303012170E+000 1.00000000E+003 /Fermi.K 201 6.247902429234376E-006 1.00000000E+000 /Fermi.JJ 1101 -8.102384995565335E-005 1.00000000E+000 /Fermi.JK 2001 7.954471559272608E-005 1.00000000E+000 /Fermi.KK ! !----------------------------------------------------------------------- !----------------------------------------------------------------------- ! Constants for 2v9 from extrapolation from gs and v9 except for sextics ! which are gs ! Quartics and sextics for v7 from gs ! ! 1136 rejected @ 10^2 ! 68 rejected @ 10^3 ! RMS ERROR= 190.54910 190.54896 ! 35ClONO2: 2v9 (0) <-> v7 (1) Tue Oct 09 16:06:54 2007 55 4029 15 0 0.0000E+000 1.0000E+003 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.190349852000000E+004 1.00000000E-035 /A 20000 2.776633250000000E+003 1.00000000E-035 /B 30000 2.266110370000000E+003 1.00000000E-035 /C 200 -5.484520000000006E-004 1.00000000E-035 /-DJ 1100 -3.644070000000001E-003 1.00000000E-035 /-DJK 2000 -6.902980000000000E-003 1.00000000E-035 /-DK 40100 -9.593200000000004E-005 1.00000000E-035 /-dJ 41000 -2.366100000000000E-003 1.00000000E-035 /-dK 300 -1.451000000000000E-010 1.00000000E-037 /HJ 1200 -3.230000000000000E-009 1.00000000E-037 /HJK 2100 -2.372000000000000E-008 1.00000000E-035 /HKJ 3000 4.550000000000000E-008 1.00000000E-035 /HK 40200 -1.911000000000000E-011 1.00000000E-037 /hJ 41100 -1.640000000000000E-009 1.00000000E-037 /hJK 42000 4.210000000000001E-008 1.00000000E-035 /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_2v9 10011 1.211492770219769E+004 1.00000000E+002 /A 20011 2.771018965481448E+003 1.00000000E+002 /B 30011 2.250615888922670E+003 1.00000000E+002 /C 211 -5.362000000000000E-004 1.00000000E-035 /-DJ 1111 -3.651500000000000E-003 1.00000000E-035 /-DJK 2011 -9.651500000000000E-003 1.00000000E-035 /-DK 40111 -9.570100000000001E-005 1.00000000E-035 /-dJ 41011 -2.622880000000000E-003 1.00000000E-035 /-dK 311 -1.451000000000000E-010 1.00000000E-037 /HJ 1211 -3.230000000000000E-009 1.00000000E-037 /HJK 2111 -2.372000000000000E-008 1.00000000E-037 /HKJ 3011 4.550000000000000E-008 1.00000000E-037 /HK 40211 -1.911000000000000E-011 1.00000000E-037 /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 5.029810944064554E+005 1.00000000E+005 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 600001 8.361281789651300E+002 1.00000000E+035 /Gc 600101 8.091526971897193E-004 1.00000000E+035 /GcJ 601001 -3.009124161899245E-003 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 2.650382202251464E-005 1.00000000E+000 /GcJK 602001 -3.206290958743307E-005 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.200450165185462E+001 1.00000000E+035 /Fab 610101 -1.073192637983909E-003 1.00000000E+000 /FabJ 611001 2.355277851227975E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 2.586401733533008E-006 1.00000000E+000 /FabJK 612001 -7.825708462592960E-006 1.00000000E+000 /FabKK 620001 5.783691298724679E-003 1.00000000E+000 /C3 620101 -2.591898906403266E-007 1.00000000E+000 /C3J 621001 -1.316238778787202E-004 1.00000000E+000 /C3K ! ! !----------------------------------------------------------------------- ! Fixed C's C0+0.65 ! C1-0.65 floated ! ! RMS ERROR= 0.45884 0.45884 ! ! fit calcMuller ! ! Delta_2v9=-1.4399 -1.45034 ! Delta_v7 = 0.5691 0.56680 ! ! ! ClONO2 35 v7 (1) 2v9 (0) Mon Oct 08 18:12:44 2007 55 4029 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193303702646824E+004 1.00000000E+035 /A 20000 2.776279667042042E+003 1.00000000E+035 /B 30000 2.266822760000000E+003 1.00000000E-035 /C 200 -5.442294172640206E-004 1.00000000E+037 /-DJ 1100 -3.597894607687619E-003 1.00000000E+000 /-DJK 2000 -1.852331721064685E-002 1.00000000E+000 /-DK 40100 -9.974177182761311E-005 1.00000000E+000 /-dJ 41000 -1.967053471700920E-003 1.00000000E+000 /-dK 300 -1.449000000000000E-010 1.00000000E-037 /HJ 1200 -3.145000000000000E-009 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-035 /HKJ 3000 2.654427483015423E-006 1.00000000E+000 /HK 40200 -1.958000000000000E-011 1.00000000E-037 /hJ 41100 -1.740000000000000E-009 1.00000000E-037 /hJK 42000 3.185769875417459E-007 1.00000000E+000 /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_2v9 10011 1.211697063285786E+004 1.00000000E+035 /A 20011 2.771294217511310E+003 1.00000000E+035 /B 30011 2.249733134186063E+003 1.00000000E+000 /C 211 -5.425910923836011E-004 1.00000000E+037 /-DJ 1111 -3.766180793088926E-003 1.00000000E+000 /-DJK 2011 4.888217372544722E-004 1.00000000E+000 /-DK 40111 -9.241779139106175E-005 1.00000000E+000 /-dJ 41011 -3.249102957729223E-003 1.00000000E+000 /-dK 311 -1.449000000000000E-010 1.00000000E-037 /HJ 1211 -3.145000000000000E-009 1.00000000E-037 /HJK 2111 -7.242411778323335E-009 1.00000000E+000 /HKJ 3011 -3.924572284969342E-006 1.00000000E+000 /HK 40211 -1.958000000000000E-011 1.00000000E-037 /hJ 41111 -1.740000000000000E-009 1.00000000E-037 /hJK 42011 -2.389849945703854E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038053506129067E+005 1.00000000E+005 /E_v7 40001 3.555069012940610E-001 1.00000000E+000 /F+- 40101 1.913199166376476E-006 1.00000000E+000 /F+-J 41001 -1.783972281787758E-004 1.00000000E+000 /F+-K 600001 1.056582100406297E+003 1.00000000E+035 /Gc 600101 -2.425133163783174E-003 1.00000000E+035 /GcJ 601001 -2.288159430655762E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 -1.219504042632920E-005 1.00000000E+000 /GcJK 602001 1.911760141869238E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.275257670234006E+001 1.00000000E+035 /Fab 610101 -4.357001056623534E-005 1.00000000E+000 /FabJ 611001 -5.551947381289296E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 -1.588820175360695E-007 1.00000000E+000 /FabJK 612001 2.868372638595795E-006 1.00000000E+000 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 -1.061544879550880E-007 1.00000000E+000 /C3J 621001 1.454183821756856E-005 1.00000000E+000 /C3K ! ! !----------------------------------------------------------------------- ! Fixed C's C0+0.6 ! C1-0.6 floated ! ! RMS ERROR= 0.45554 0.45554 ! ! ClONO2 35 v7 (1) 2v9 (0) Mon Oct 08 18:08:52 2007 55 4029 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193303802745653E+004 1.00000000E+035 /A 20000 2.776278870135934E+003 1.00000000E+035 /B 30000 2.266772760000000E+003 1.00000000E-035 /C 200 -5.441788719126110E-004 1.00000000E+037 /-DJ 1100 -3.591903245086757E-003 1.00000000E+000 /-DJK 2000 -1.853689735516832E-002 1.00000000E+000 /-DK 40100 -9.976378482453610E-005 1.00000000E+000 /-dJ 41000 -1.976805309187679E-003 1.00000000E+000 /-dK 300 -1.449000000000000E-010 1.00000000E-037 /HJ 1200 -3.145000000000000E-009 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-035 /HKJ 3000 2.682837958126470E-006 1.00000000E+000 /HK 40200 -1.958000000000000E-011 1.00000000E-037 /hJ 41100 -1.740000000000000E-009 1.00000000E-037 /hJK 42000 3.139465354115158E-007 1.00000000E+000 /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_2v9 10011 1.211697122477749E+004 1.00000000E+035 /A 20011 2.771293398128536E+003 1.00000000E+035 /B 30011 2.249783129565853E+003 1.00000000E+000 /C 211 -5.426366345131584E-004 1.00000000E+037 /-DJ 1111 -3.770563492177323E-003 1.00000000E+000 /-DJK 2011 4.852623566828761E-004 1.00000000E+000 /-DK 40111 -9.239302687240596E-005 1.00000000E+000 /-dJ 41011 -3.238908290993593E-003 1.00000000E+000 /-dK 311 -1.449000000000000E-010 1.00000000E-037 /HJ 1211 -3.145000000000000E-009 1.00000000E-037 /HJK 2111 -8.271826866955510E-009 1.00000000E+000 /HKJ 3011 -3.858165046973115E-006 1.00000000E+000 /HK 40211 -1.958000000000000E-011 1.00000000E-037 /hJ 41111 -1.740000000000000E-009 1.00000000E-037 /hJK 42011 -2.331620275220909E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038053375277912E+005 1.00000000E+005 /E_v7 40001 3.554849726211771E-001 1.00000000E+000 /F+- 40101 1.914985771489836E-006 1.00000000E+000 /F+-J 41001 -1.782942270984278E-004 1.00000000E+000 /F+-K 600001 1.044596045447077E+003 1.00000000E+035 /Gc 600101 -2.023408895461903E-003 1.00000000E+035 /GcJ 601001 -2.354140550359677E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 -1.235803474718929E-005 1.00000000E+000 /GcJK 602001 1.948638140700138E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.248185357506780E+001 1.00000000E+035 /Fab 610101 -4.128469384035456E-005 1.00000000E+000 /FabJ 611001 -5.498794825944905E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 -1.579351112484814E-007 1.00000000E+000 /FabJK 612001 2.875317815353836E-006 1.00000000E+000 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 -1.065140349677171E-007 1.00000000E+000 /C3J 621001 1.454501720847696E-005 1.00000000E+000 /C3K ! ! !----------------------------------------------------------------------- ! Fixed C's C0+0.5 ! C1-0.5 floated ! ! RMS ERROR= 0.44927 0.44927 ! ! ClONO2 35 v7 (1) 2v9 (0) Mon Oct 08 18:04:54 2007 55 4029 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193304001040042E+004 1.00000000E+035 /A 20000 2.776277277992192E+003 1.00000000E+035 /B 30000 2.266672760000000E+003 1.00000000E-035 /C 200 -5.441210888070565E-004 1.00000000E+037 /-DJ 1100 -3.580316172215173E-003 1.00000000E+000 /-DJK 2000 -1.856535034547814E-002 1.00000000E+000 /-DK 40100 -9.978641120822558E-005 1.00000000E+000 /-dJ 41000 -1.995442910802144E-003 1.00000000E+000 /-dK 300 -1.449000000000000E-010 1.00000000E-037 /HJ 1200 -3.145000000000000E-009 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-035 /HKJ 3000 2.748026131158268E-006 1.00000000E+000 /HK 40200 -1.958000000000000E-011 1.00000000E-037 /hJ 41100 -1.740000000000000E-009 1.00000000E-037 /hJK 42000 3.031734799896512E-007 1.00000000E+000 /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_2v9 10011 1.211697254062645E+004 1.00000000E+035 /A 20011 2.771291774895080E+003 1.00000000E+035 /B 30011 2.249883117358214E+003 1.00000000E+000 /C 211 -5.426857753608750E-004 1.00000000E+037 /-DJ 1111 -3.778964688704630E-003 1.00000000E+000 /-DJK 2011 4.750517919791580E-004 1.00000000E+000 /-DK 40111 -9.236560522892550E-005 1.00000000E+000 /-dJ 41011 -3.219502176040228E-003 1.00000000E+000 /-dK 311 -1.449000000000000E-010 1.00000000E-037 /HJ 1211 -3.145000000000000E-009 1.00000000E-037 /HJK 2111 -1.038719224876670E-008 1.00000000E+000 /HKJ 3011 -3.708764916668789E-006 1.00000000E+000 /HK 40211 -1.958000000000000E-011 1.00000000E-037 /hJ 41111 -1.740000000000000E-009 1.00000000E-037 /hJK 42011 -2.196412757757513E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038052993712282E+005 1.00000000E+005 /E_v7 40001 3.554416055798518E-001 1.00000000E+000 /F+- 40101 1.918432817360640E-006 1.00000000E+000 /F+-J 41001 -1.780846349752927E-004 1.00000000E+000 /F+-K 600001 1.020200897026295E+003 1.00000000E+035 /Gc 600101 -1.220774086667052E-003 1.00000000E+035 /GcJ 601001 -2.495546297443647E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 -1.265389879756761E-005 1.00000000E+000 /GcJK 602001 2.023837331664888E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.192801857554227E+001 1.00000000E+035 /Fab 610101 -3.685365715226972E-005 1.00000000E+000 /FabJ 611001 -5.400587243150689E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 -1.554937591021351E-007 1.00000000E+000 /FabJK 612001 2.890729030324310E-006 1.00000000E+000 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 -1.070175596184234E-007 1.00000000E+000 /C3J 621001 1.455165078442099E-005 1.00000000E+000 /C3K ! ! !----------------------------------------------------------------------- ! Fixed C's C0+0.4 ! C1-0.4 floated ! ! RMS ERROR= 0.44353 0.44353 ! ! ClONO2 35 v7 (1) 2v9 (0) Mon Oct 08 17:59:08 2007 55 4029 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193304188844379E+004 1.00000000E+035 /A 20000 2.776275697616539E+003 1.00000000E+035 /B 30000 2.266572760000000E+003 1.00000000E-035 /C 200 -5.441111094299487E-004 1.00000000E+037 /-DJ 1100 -3.568646752114758E-003 1.00000000E+000 /-DJK 2000 -1.859474473699730E-002 1.00000000E+000 /-DK 40100 -9.978556696842373E-005 1.00000000E+000 /-dJ 41000 -2.013291909304356E-003 1.00000000E+000 /-dK 300 -1.449000000000000E-010 1.00000000E-037 /HJ 1200 -3.145000000000000E-009 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-035 /HKJ 3000 2.818773251715409E-006 1.00000000E+000 /HK 40200 -1.958000000000000E-011 1.00000000E-037 /hJ 41100 -1.740000000000000E-009 1.00000000E-037 /hJK 42000 2.912751756843888E-007 1.00000000E+000 /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_2v9 10011 1.211697393853370E+004 1.00000000E+035 /A 20011 2.771290176975128E+003 1.00000000E+035 /B 30011 2.249983103734557E+003 1.00000000E+000 /C 211 -5.426889095944940E-004 1.00000000E+037 /-DJ 1111 -3.787431935454582E-003 1.00000000E+000 /-DJK 2011 4.622437429554278E-004 1.00000000E+000 /-DK 40111 -9.236250774102309E-005 1.00000000E+000 /-dJ 41011 -3.200980483695170E-003 1.00000000E+000 /-dK 311 -1.449000000000000E-010 1.00000000E-037 /HJ 1211 -3.145000000000000E-009 1.00000000E-037 /HJK 2111 -1.256494450204239E-008 1.00000000E+000 /HKJ 3011 -3.543840150727058E-006 1.00000000E+000 /HK 40211 -1.958000000000000E-011 1.00000000E-037 /hJ 41111 -1.740000000000000E-009 1.00000000E-037 /hJK 42011 -2.046772466192674E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038052499141046E+005 1.00000000E+005 /E_v7 40001 3.554027604577386E-001 1.00000000E+000 /F+- 40101 1.922182262786863E-006 1.00000000E+000 /F+-J 41001 -1.779045861305753E-004 1.00000000E+000 /F+-K 600001 9.952070648306342E+002 1.00000000E+035 /Gc 600101 -4.131207660155635E-004 1.00000000E+035 /GcJ 601001 -2.647254774924593E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 -1.294129366019945E-005 1.00000000E+000 /GcJK 602001 2.104287092133540E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.135829317547946E+001 1.00000000E+035 /Fab 610101 -3.259228485437592E-005 1.00000000E+000 /FabJ 611001 -5.305546334375339E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 -1.527043914099828E-007 1.00000000E+000 /FabJK 612001 2.909414201015361E-006 1.00000000E+000 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 -1.074115379670896E-007 1.00000000E+000 /C3J 621001 1.457506333441919E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! Fixed C's C0+0.3 ! C1-0.3 floated ! ! RMS ERROR= 0.43848 0.43848 ! ! ClONO2 35 v7 (1) 2v9 (0) Mon Oct 08 17:55:11 2007 55 4029 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193304362650430E+004 1.00000000E+035 /A 20000 2.776274126093480E+003 1.00000000E+035 /B 30000 2.266472760000000E+003 1.00000000E-035 /C 200 -5.441556124245390E-004 1.00000000E+037 /-DJ 1100 -3.556984509470701E-003 1.00000000E+000 /-DJK 2000 -1.862504957928834E-002 1.00000000E+000 /-DK 40100 -9.975774995167564E-005 1.00000000E+000 /-dJ 41000 -2.030199244681948E-003 1.00000000E+000 /-dK 300 -1.449000000000000E-010 1.00000000E-037 /HJ 1200 -3.145000000000000E-009 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-035 /HKJ 3000 2.896042488850824E-006 1.00000000E+000 /HK 40200 -1.958000000000000E-011 1.00000000E-037 /hJ 41100 -1.740000000000000E-009 1.00000000E-037 /hJK 42000 2.779489122831826E-007 1.00000000E+000 /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_2v9 10011 1.211697547184610E+004 1.00000000E+035 /A 20011 2.771288606154268E+003 1.00000000E+035 /B 30011 2.250083088215488E+003 1.00000000E+000 /C 211 -5.426394097895870E-004 1.00000000E+037 /-DJ 1111 -3.795876536223426E-003 1.00000000E+000 /-DJK 2011 4.460150403672745E-004 1.00000000E+000 /-DK 40111 -9.238726139716457E-005 1.00000000E+000 /-dJ 41011 -3.183516433208234E-003 1.00000000E+000 /-dK 311 -1.449000000000000E-010 1.00000000E-037 /HJ 1211 -3.145000000000000E-009 1.00000000E-037 /HJK 2111 -1.482555447857618E-008 1.00000000E+000 /HKJ 3011 -3.359430624250023E-006 1.00000000E+000 /HK 40211 -1.958000000000000E-011 1.00000000E-037 /hJ 41111 -1.740000000000000E-009 1.00000000E-037 /hJK 42011 -1.878906675189843E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038051850606833E+005 1.00000000E+005 /E_v7 40001 3.553683424791010E-001 1.00000000E+000 /F+- 40101 1.926183021599656E-006 1.00000000E+000 /F+-J 41001 -1.777513203189501E-004 1.00000000E+000 /F+-K 600001 9.695679893353124E+002 1.00000000E+035 /Gc 600101 3.979688928581072E-004 1.00000000E+035 /GcJ 601001 -2.811497975309313E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 -1.321078277742668E-005 1.00000000E+000 /GcJK 602001 2.190124279991413E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.077066234243317E+001 1.00000000E+035 /Fab 610101 -2.852448030704087E-005 1.00000000E+000 /FabJ 611001 -5.216017193701451E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 -1.494306617342519E-007 1.00000000E+000 /FabJK 612001 2.931525014733244E-006 1.00000000E+000 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 -1.076262552196899E-007 1.00000000E+000 /C3J 621001 1.461467109838638E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! Fixed C's C0+0.2 ! C1-0.2 floated ! ! RMS ERROR= 0.43437 0.43437 ! ! ClONO2 35 v7 (1) 2v9 (0) Mon Oct 08 17:14:48 2007 55 4029 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193304516804595E+004 1.00000000E+035 /A 20000 2.776272562338888E+003 1.00000000E+035 /B 30000 2.266372760000000E+003 1.00000000E-035 /C 200 -5.442590779841305E-004 1.00000000E+037 /-DJ 1100 -3.545287592256800E-003 1.00000000E+000 /-DJK 2000 -1.865606098609325E-002 1.00000000E+000 /-DK 40100 -9.970056406677461E-005 1.00000000E+000 /-dJ 41000 -2.046084038733713E-003 1.00000000E+000 /-dK 300 -1.449000000000000E-010 1.00000000E-037 /HJ 1200 -3.145000000000000E-009 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-035 /HKJ 3000 2.979658899173838E-006 1.00000000E+000 /HK 40200 -1.958000000000000E-011 1.00000000E-037 /hJ 41100 -1.740000000000000E-009 1.00000000E-037 /hJK 42000 2.630904902675140E-007 1.00000000E+000 /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_2v9 10011 1.211697717799304E+004 1.00000000E+035 /A 20011 2.771287065300766E+003 1.00000000E+035 /B 30011 2.250183070852700E+003 1.00000000E+000 /C 211 -5.425328411054664E-004 1.00000000E+037 /-DJ 1111 -3.804326834868961E-003 1.00000000E+000 /-DJK 2011 4.257979387502632E-004 1.00000000E+000 /-DK 40111 -9.244226502546061E-005 1.00000000E+000 /-dJ 41011 -3.167199212338333E-003 1.00000000E+000 /-dK 311 -1.449000000000000E-010 1.00000000E-037 /HJ 1211 -3.145000000000000E-009 1.00000000E-037 /HJK 2111 -1.718815406154315E-008 1.00000000E+000 /HKJ 3011 -3.152608506385774E-006 1.00000000E+000 /HK 40211 -1.958000000000000E-011 1.00000000E-037 /hJ 41111 -1.740000000000000E-009 1.00000000E-037 /hJK 42011 -1.691269419234711E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038051014566206E+005 1.00000000E+005 /E_v7 40001 3.553391677414888E-001 1.00000000E+000 /F+- 40101 1.930489739663821E-006 1.00000000E+000 /F+-J 41001 -1.776299957214395E-004 1.00000000E+000 /F+-K 600001 9.432307855860798E+002 1.00000000E+035 /Gc 600101 1.212101135449676E-003 1.00000000E+035 /GcJ 601001 -2.990129576907591E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 -1.345965934874195E-005 1.00000000E+000 /GcJK 602001 2.282280543953026E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 1.016321276445850E+001 1.00000000E+035 /Fab 610101 -2.467156696968610E-005 1.00000000E+000 /FabJ 611001 -5.132690821389264E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 -1.456210332889994E-007 1.00000000E+000 /FabJK 612001 2.957497340510011E-006 1.00000000E+000 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 -1.076258753211800E-007 1.00000000E+000 /C3J 621001 1.467413518555524E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! Fixed C's C0+0.1 ! C1-0.1 ! ! RMS ERROR= 0.43153 0.43153 ! ClONO2 35 v7 (1) 2v9 (0) Mon Oct 08 17:09:34 2007 55 4029 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193304697268010E+004 1.00000000E+035 /A 20000 2.776271013462279E+003 1.00000000E+035 /B 30000 2.266272760000000E+003 1.00000000E-035 /C 200 -5.444286784680847E-004 1.00000000E+037 /-DJ 1100 -3.533558696925572E-003 1.00000000E+000 /-DJK 2000 -1.869163504295908E-002 1.00000000E+000 /-DK 40100 -9.961061646975449E-005 1.00000000E+000 /-dJ 41000 -2.060861190464391E-003 1.00000000E+000 /-dK 300 -1.449000000000000E-010 1.00000000E-037 /HJ 1200 -3.145000000000000E-009 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-035 /HKJ 3000 3.082379499207847E-006 1.00000000E+000 /HK 40200 -1.958000000000000E-011 1.00000000E-037 /hJ 41100 -1.740000000000000E-009 1.00000000E-037 /hJK 42000 2.467450598227012E-007 1.00000000E+000 /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_2v9 10011 1.211697948241995E+004 1.00000000E+035 /A 20011 2.771285564403504E+003 1.00000000E+035 /B 30011 2.250283033000000E+003 1.00000000E-035 /C 211 -5.423620769524361E-004 1.00000000E+037 /-DJ 1111 -3.812762571137164E-003 1.00000000E+000 /-DJK 2011 3.976381301243723E-004 1.00000000E+000 /-DK 40111 -9.253160924744281E-005 1.00000000E+000 /-dJ 41011 -3.152227211660798E-003 1.00000000E+000 /-dK 311 -1.449000000000000E-010 1.00000000E-037 /HJ 1211 -3.145000000000000E-009 1.00000000E-037 /HJK 2111 -1.968041639941355E-008 1.00000000E+000 /HKJ 3011 -2.904740838946254E-006 1.00000000E+000 /HK 40211 -1.958000000000000E-011 1.00000000E-037 /hJ 41111 -1.740000000000000E-009 1.00000000E-037 /hJK 42011 -1.478188111682471E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038050065238594E+005 1.00000000E+005 /E_v7 40001 3.553151860583970E-001 1.00000000E+000 /F+- 40101 1.935159471229832E-006 1.00000000E+000 /F+-J 41001 -1.775408416178264E-004 1.00000000E+000 /F+-K 600001 9.161377809285805E+002 1.00000000E+035 /Gc 600101 2.027482849952305E-003 1.00000000E+035 /GcJ 601001 -3.185793422890517E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 -1.368109901444370E-005 1.00000000E+000 /GcJK 602001 2.381692273391726E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 9.533562956818148E+000 1.00000000E+035 /Fab 610101 -2.106219992546953E-005 1.00000000E+000 /FabJ 611001 -5.056960100326738E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 -1.411978073138567E-007 1.00000000E+000 /FabJK 612001 2.987687511748471E-006 1.00000000E+000 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 -1.073285563854592E-007 1.00000000E+000 /C3J 621001 1.475860795241537E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! After checking and addition of FASSST lines by EBJ (4 Oct 2007) ! ! No Q-types in the data set but proably close ! ! RMS ERROR= 0.43043 0.43043 ! ! fit calcMuller ! ! Delta_2v9=-1.3765 -1.45034 ! Delta_v7 = 0.5036 0.56680 ! ! ClONO2 35 v7 (1) 2v9 (0) Mon Oct 08 16:15:55 2007 55 4029 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193304732325903E+004 1.00000000E+035 /A 20000 2.776269449022414E+003 1.00000000E+035 /B 30000 2.266172758183928E+003 1.00000000E+000 /C 200 -5.446651945129108E-004 1.00000000E+037 /-DJ 1100 -3.521648965348200E-003 1.00000000E+000 /-DJK 2000 -1.871839954242645E-002 1.00000000E+000 /-DK 40100 -9.948589440212689E-005 1.00000000E+000 /-dJ 41000 -2.074290433816490E-003 1.00000000E+000 /-dK 300 -1.449000000000000E-010 1.00000000E-037 /HJ 1200 -3.145000000000000E-009 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-035 /HKJ 3000 3.162677873747058E-006 1.00000000E+000 /HK 40200 -1.958000000000000E-011 1.00000000E-037 /hJ 41100 -1.740000000000000E-009 1.00000000E-037 /hJK 42000 2.280924684773587E-007 1.00000000E+000 /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_2v9 10011 1.211698135857544E+004 1.00000000E+035 /A 20011 2.771284088129719E+003 1.00000000E+035 /B 30011 2.250383032788186E+003 1.00000000E+000 /C 211 -5.421262725915939E-004 1.00000000E+037 /-DJ 1111 -3.821319551519547E-003 1.00000000E+000 /-DJK 2011 3.700401118703389E-004 1.00000000E+000 /-DK 40111 -9.265515833740661E-005 1.00000000E+000 /-dJ 41011 -3.138535953061719E-003 1.00000000E+000 /-dK 311 -1.449000000000000E-010 1.00000000E-037 /HJ 1211 -3.145000000000000E-009 1.00000000E-037 /HJK 2111 -2.232976911852361E-008 1.00000000E+000 /HKJ 3011 -2.656470341559036E-006 1.00000000E+000 /HK 40211 -1.958000000000000E-011 1.00000000E-037 /hJ 41111 -1.740000000000000E-009 1.00000000E-037 /hJK 42011 -1.247784283423814E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038048586230486E+005 1.00000000E+005 /E_v7 40001 3.553003700575843E-001 1.00000000E+000 /F+- 40101 1.940177122229792E-006 1.00000000E+000 /F+-J 41001 -1.775040694230566E-004 1.00000000E+000 /F+-K 600001 8.882097713346506E+002 1.00000000E+035 /Gc 600101 2.846344402926914E-003 1.00000000E+035 /GcJ 601001 -3.400834719062419E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 -1.387464104387426E-005 1.00000000E+000 /GcJK 602001 2.489825280525772E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 8.878968966319546E+000 1.00000000E+035 /Fab 610101 -1.771616860986234E-005 1.00000000E+000 /FabJ 611001 -4.989821304560604E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 -1.360529729319104E-007 1.00000000E+000 /FabJK 612001 3.022879689632892E-006 1.00000000E+000 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 -1.067635016852148E-007 1.00000000E+000 /C3J 621001 1.486934980106970E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! As below but also no longer with C3 ! and using corrected interstates ! all 01 term signs reversed ! ! RMS ERROR= 0.43135 0.43135 ! ClONO2 35 v7 (1) 2v9 (0) Wed Mar 29 19:08:53 2006 55 4063 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193304473552609E+004 1.00000000E+035 /A 20000 2.776269880452494E+003 1.00000000E+035 /B 30000 2.266201710623895E+003 1.00000000E+000 /C 200 -5.445127620343164E-004 1.00000000E+037 /-DJ 1100 -3.525217439761651E-003 1.00000000E+000 /-DJK 2000 -1.868636162093934E-002 1.00000000E+000 /-DK 40100 -9.956648546503876E-005 1.00000000E+000 /-dJ 41000 -2.070371334160717E-003 1.00000000E+000 /-dK 300 -1.449000000000000E-010 1.00000000E-037 /HJ 1200 -3.145000000000000E-009 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-035 /HKJ 3000 3.072644898200407E-006 1.00000000E+000 /HK 40200 -1.958000000000000E-011 1.00000000E-037 /hJ 41100 -1.740000000000000E-009 1.00000000E-037 /hJK 42000 2.363270362233066E-007 1.00000000E+000 /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_2v9 10011 1.211697585170981E+004 1.00000000E+035 /A 20011 2.771284456078442E+003 1.00000000E+035 /B 30011 2.250354119175027E+003 1.00000000E+000 /C 211 -5.422810129165548E-004 1.00000000E+037 /-DJ 1111 -3.818567612551169E-003 1.00000000E+000 /-DJK 2011 4.155577359881756E-004 1.00000000E+000 /-DK 40111 -9.257624044683209E-005 1.00000000E+000 /-dJ 41011 -3.141787368153324E-003 1.00000000E+000 /-dK 311 -1.449000000000000E-010 1.00000000E-037 /HJ 1211 -3.145000000000000E-009 1.00000000E-037 /HJK 2111 -2.159621934703443E-008 1.00000000E+000 /HKJ 3011 -2.818796143963470E-006 1.00000000E+000 /HK 40211 -1.958000000000000E-011 1.00000000E-037 /hJ 41111 -1.740000000000000E-009 1.00000000E-037 /hJK 42011 -1.373775827251574E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038050107884810E+005 1.00000000E+005 /E_v7 40001 3.553448737132520E-001 1.00000000E+000 /F+- 40101 1.935627541048635E-006 1.00000000E+000 /F+-J 41001 -1.776747085756281E-004 1.00000000E+000 /F+-K 600001 8.963803011800479E+002 1.00000000E+035 /Gc 600101 2.653990000502168E-003 1.00000000E+035 /GcJ 601001 -3.336239552305673E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 -1.396085914880355E-005 1.00000000E+000 /GcJK 602001 2.462911482605326E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 9.071756711486970E+000 1.00000000E+035 /Fab 610101 -1.917580896208824E-005 1.00000000E+000 /FabJ 611001 -4.997898439968387E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 -1.388821513612817E-007 1.00000000E+000 /FabJK 612001 3.013023992217872E-006 1.00000000E+000 /FabKK 620001 1.000000000000000E-025 1.00000000E-035 /C3 620101 -1.084345274202877E-007 1.00000000E+000 /C3J 621001 1.488737697877039E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! C0 no longer fixed and no HKJ0 since indeterminable ! ! RMS ERROR= 0.43164 0.43164 ! ClONO2 35 v7 (1) 2v9 (0) Wed Mar 29 14:18:21 2006 55 4063 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193304347565796E+004 1.00000000E+035 /A 20000 2.776269478065552E+003 1.00000000E+035 /B 30000 2.266184728322473E+003 1.00000000E+000 /C 200 -5.446635338035956E-004 1.00000000E+037 /-DJ 1100 -3.519972914341071E-003 1.00000000E+000 /-DJK 2000 -1.869285366630516E-002 1.00000000E+000 /-DK 40100 -9.948612279957673E-005 1.00000000E+000 /-dJ 41000 -2.080203449852791E-003 1.00000000E+000 /-dK 300 -1.449000000000000E-010 1.00000000E-037 /HJ 1200 -3.145000000000000E-009 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-035 /HKJ 3000 3.091946594845946E-006 1.00000000E+000 /HK 40200 -1.958000000000000E-011 1.00000000E-037 /hJ 41100 -1.740000000000000E-009 1.00000000E-037 /hJK 42000 2.304877649741856E-007 1.00000000E+000 /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_2v9 10011 1.211697713617984E+004 1.00000000E+035 /A 20011 2.771284071732911E+003 1.00000000E+035 /B 30011 2.250371106451541E+003 1.00000000E+000 /C 211 -5.421231249253185E-004 1.00000000E+037 /-DJ 1111 -3.823062144796394E-003 1.00000000E+000 /-DJK 2011 4.170641294000767E-004 1.00000000E+000 /-DK 40111 -9.265226383083837E-005 1.00000000E+000 /-dJ 41011 -3.131885373447269E-003 1.00000000E+000 /-dK 311 -1.449000000000000E-010 1.00000000E-037 /HJ 1211 -3.145000000000000E-009 1.00000000E-037 /HJK 2111 -2.203315482532391E-008 1.00000000E+000 /HKJ 3011 -2.810816139375104E-006 1.00000000E+000 /HK 40211 -1.958000000000000E-011 1.00000000E-037 /hJ 41111 -1.740000000000000E-009 1.00000000E-037 /hJK 42011 -1.309845633686838E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038048194282464E+005 1.00000000E+005 /E_v7 40001 3.553165761409969E-001 1.00000000E+000 /F+- 40101 1.940516447869516E-006 1.00000000E+000 /F+-J 41001 -1.776160926190190E-004 1.00000000E+000 /F+-K 600001 -8.915948982788443E+002 1.00000000E+035 /Gc 600101 -2.796307725460898E-003 1.00000000E+035 /GcJ 601001 3.372762616102621E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.392651637511105E-005 1.00000000E+000 /GcJK 602001 -2.488448532709868E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 -8.923378777515818E+000 1.00000000E+035 /Fab 610101 1.594008310752167E-005 1.00000000E+000 /FabJ 611001 4.965728651801866E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.363452463640247E-007 1.00000000E+000 /FabJK 612001 -3.024744244597382E-006 1.00000000E+000 /FabKK 620001 6.498408540210253E-005 1.00000000E+000 /C3 620101 1.063088690651328E-007 1.00000000E+000 /C3J 621001 -1.477156974369735E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! Lowest deviation yet - with HK and hk but C0 still fixed ! ! RMS ERROR= 0.43176 0.43176 ! ClONO2 35 v7 (1) 2v9 (0) Wed Mar 29 11:18:37 2006 55 4063 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193303952268803E+004 1.00000000E+035 /A 20000 2.776270685319274E+003 1.00000000E+035 /B 30000 2.266300000000000E+003 1.00000000E-035 /C 200 -5.445565774778250E-004 1.00000000E+037 /-DJ 1100 -3.544555172952083E-003 1.00000000E+000 /-DJK 2000 -1.864595167025847E-002 1.00000000E+000 /-DK 40100 -9.953498733969043E-005 1.00000000E+000 /-dJ 41000 -2.064294825375330E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 1.641487395676555E-008 1.00000000E+000 /HKJ 3000 3.021125775367577E-006 1.00000000E+000 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 2.447714618626207E-007 1.00000000E+000 /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_2v9 10011 1.211697714038651E+004 1.00000000E+035 /A 20011 2.771285446336921E+003 1.00000000E+035 /B 30011 2.250255851580978E+003 1.00000000E+000 /C 211 -5.422282308364597E-004 1.00000000E+037 /-DJ 1111 -3.800680908767872E-003 1.00000000E+000 /-DJK 2011 3.916512281141535E-004 1.00000000E+000 /-DK 40111 -9.260179916999048E-005 1.00000000E+000 /-dJ 41011 -3.148602190457997E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -3.625250462053774E-008 1.00000000E+000 /HKJ 3011 -2.817883586229717E-006 1.00000000E+000 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 -1.445248690602491E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038047137174294E+005 1.00000000E+005 /E_v7 40001 3.553606999129874E-001 1.00000000E+000 /F+- 40101 1.940687168434911E-006 1.00000000E+000 /F+-J 41001 -1.778784451522893E-004 1.00000000E+000 /F+-K 600001 -9.235831059687532E+002 1.00000000E+035 /Gc 600101 -1.879712430554808E-003 1.00000000E+035 /GcJ 601001 3.247573309859079E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.381631367297507E-005 1.00000000E+000 /GcJK 602001 -2.504906094107970E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 -9.548802099886046E+000 1.00000000E+035 /Fab 610101 1.784624939282062E-005 1.00000000E+000 /FabJ 611001 4.990962855011837E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.375363089250376E-007 1.00000000E+000 /FabJK 612001 -3.045102369374421E-006 1.00000000E+000 /FabKK 620001 1.762482851065371E-004 1.00000000E+000 /C3 620101 1.042153093860042E-007 1.00000000E+000 /C3J 621001 -1.494232753197099E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! Another attempt at using HK's - this time this tend to push C0 downwards ! hence its value fixed ! ! Impressive result is that deltaK's are now equal ! ! RMS ERROR= 0.49062 0.49062 ! ClONO2 35 v7 (1) 2v9 (0) Wed Mar 29 10:43:52 2006 55 4063 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193302561640337E+004 1.00000000E+035 /A 20000 2.776264971335463E+003 1.00000000E+035 /B 30000 2.266300000000000E+003 1.00000000E-035 /C 200 -5.508826185507561E-004 1.00000000E+037 /-DJ 1100 -3.450528759553693E-003 1.00000000E+000 /-DJK 2000 -1.868261799829723E-002 1.00000000E+000 /-DK 40100 -9.620983034181934E-005 1.00000000E+000 /-dJ 41000 -2.328529320303372E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 6.340059501258143E-008 1.00000000E+000 /HKJ 3000 3.110208185272697E-006 1.00000000E+000 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 4.336790863567571E-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_2v9 10011 1.211695423985426E+004 1.00000000E+035 /A 20011 2.771278996720345E+003 1.00000000E+035 /B 30011 2.250256382415557E+003 1.00000000E+000 /C 211 -5.356221580226970E-004 1.00000000E+037 /-DJ 1111 -3.890065825879244E-003 1.00000000E+000 /-DJK 2011 8.712023359563034E-004 1.00000000E+000 /-DK 40111 -9.577140885253889E-005 1.00000000E+000 /-dJ 41011 -2.880477074696058E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -7.877320233984770E-008 1.00000000E+000 /HKJ 3011 -3.789029093588486E-006 1.00000000E+000 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 4.336790863567571E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038040496192246E+005 1.00000000E+005 /E_v7 40001 3.540722990361356E-001 1.00000000E+000 /F+- 40101 2.008134730637211E-006 1.00000000E+000 /F+-J 41001 -1.709487094610680E-004 1.00000000E+000 /F+-K 600001 -9.236581778858021E+002 1.00000000E+035 /Gc 600101 -9.717043189346868E-004 1.00000000E+035 /GcJ 601001 3.559828974881474E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 8.930021690183199E-006 1.00000000E+000 /GcJK 602001 -3.062917546702486E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 -7.867381362317586E+000 1.00000000E+035 /Fab 610101 -9.529078418698659E-005 1.00000000E+000 /FabJ 611001 4.239926401877090E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 3.646207625116178E-008 1.00000000E+000 /FabJK 612001 -3.432927620472298E-006 1.00000000E+000 /FabKK 620001 2.817148156668770E-003 1.00000000E+000 /C3 620101 -9.298025932945480E-009 1.00000000E+000 /C3J 621001 -9.355267663221808E-006 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! Juggling with J dependent interstates - slightly worse C's but very ! good correlation between DJ's and DJK's ! ! RMS ERROR= 0.62920 0.62920 ! ClONO2 35 v7 (1) 2v9 (0) Wed Mar 29 10:22:39 2006 55 4063 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193287308983062E+004 1.00000000E+035 /A 20000 2.776268701246288E+003 1.00000000E+035 /B 30000 2.266194409249074E+003 1.00000000E+000 /C 200 -5.459632893144576E-004 1.00000000E+037 /-DJ 1100 -3.755260157584161E-003 1.00000000E+000 /-DJK 2000 -1.721072808338557E-002 1.00000000E+000 /-DK 40100 -9.870771669061094E-005 1.00000000E+000 /-dJ 41000 -1.649433500568962E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 9.244144035449616E-008 1.00000000E+000 /HKJ 3000 4.118324212621493E-008 1.00000000E-037 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 4.336790863567571E-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_2v9 10011 1.211704905340984E+004 1.00000000E+035 /A 20011 2.771289839347673E+003 1.00000000E+035 /B 30011 2.250361971914330E+003 1.00000000E+000 /C 211 -5.409051578141809E-004 1.00000000E+037 /-DJ 1111 -3.589546425152271E-003 1.00000000E+000 /-DJK 2011 -6.915923429048017E-004 1.00000000E+000 /-DK 40111 -9.344844664434681E-005 1.00000000E+000 /-dJ 41011 -3.563139319441612E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -1.224786338118314E-007 1.00000000E+000 /HKJ 3011 4.118324212621493E-008 1.00000000E-037 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 4.336790863567571E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.037976814815042E+005 1.00000000E+005 /E_v7 40001 3.551777708516419E-001 1.00000000E+000 /F+- 40101 1.988378821424220E-006 1.00000000E+000 /F+-J 41001 -1.783365436030316E-004 1.00000000E+000 /F+-K 600001 -8.936395503908973E+002 1.00000000E+035 /Gc 600101 6.736198811113807E-004 1.00000000E+035 /GcJ 601001 4.331186239462366E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.021717199802958E-005 1.00000000E+000 /GcJK 602001 -2.648984140390661E-004 1.00000000E+000 /GcKK 603001 1.000000000000000E-025 1.00000000E-035 /GcKKK 610001 -9.965035031491533E+000 1.00000000E+035 /Fab 610101 1.288193539885053E-004 1.00000000E+000 /FabJ 611001 6.372207422826569E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.380480988749653E-007 1.00000000E+000 /FabJK 612001 -2.898990930851554E-006 1.00000000E+000 /FabKK 620001 -2.571168664216989E-003 1.00000000E+000 /C3 620101 8.342064543124839E-008 1.00000000E+000 /C3J 621001 -2.199129854357018E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! use of hK: intermediate deviation, C's not so far apart ! ! RMS ERROR= 0.59702 0.59702 ! ClONO2 35 v7 (1) 2v9 (0) Wed Mar 29 09:03:26 2006 54 4063 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193290396474509E+004 1.00000000E+035 /A 20000 2.776292140073329E+003 1.00000000E+035 /B 30000 2.267242248055252E+003 1.00000000E+000 /C 200 -5.133926358034753E-004 1.00000000E+037 /-DJ 1100 -4.018329252495520E-003 1.00000000E+000 /-DJK 2000 -1.717284658089642E-002 1.00000000E+000 /-DK 40100 -1.149364100401580E-004 1.00000000E+000 /-dJ 41000 -9.843359523297702E-004 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 1.666077999197330E-007 1.00000000E+000 /HKJ 3000 4.118324212621493E-008 1.00000000E-037 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 2.418956020755171E-007 1.00000000E+000 /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_2v9 10011 1.211705033455154E+004 1.00000000E+035 /A 20011 2.771315495405859E+003 1.00000000E+035 /B 30011 2.249313675329441E+003 1.00000000E+000 /C 211 -5.733402388024931E-004 1.00000000E+037 /-DJ 1111 -3.378674163790197E-003 1.00000000E+000 /-DJK 2011 -9.980039907341910E-004 1.00000000E+000 /-DK 40111 -7.717310238324141E-005 1.00000000E+000 /-dJ 41011 -4.260348800572660E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -1.588583060481488E-007 1.00000000E+000 /HKJ 3011 4.118324212621493E-008 1.00000000E-037 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 -1.586710045805837E-007 1.00000000E+000 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.037997877474212E+005 1.00000000E+005 /E_v7 40001 3.572146601969816E-001 1.00000000E+000 40101 1.828462627965706E-006 1.00000000E+000 41001 -1.878594481848704E-004 1.00000000E+000 600001 -1.151618663788970E+003 1.00000000E+035 /Gc 600101 -3.176536826908130E-003 1.00000000E+035 /GcJ 601001 2.705033909413068E-001 1.00000000E+035 /GcK 600201 3.797445568598723E-007 1.00000000E+000 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 -2.263073506784552E-004 1.00000000E+000 /GcKK 610001 -1.707127070815812E+001 1.00000000E+035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 7.386545289921824E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.683107399714587E-007 1.00000000E+000 /FabJK 612001 -2.998630448845825E-006 1.00000000E+000 /FabKK 620001 -4.826689974733558E-003 1.00000000E+000 /C3? 620101 2.139034511977798E-007 1.00000000E+000 /C3J 621001 -2.743456349339094E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! ! use of HK: best deviation but poor convergence and ! C's probably moved too far ! ! RMS ERROR= 0.54177 0.54173 ! ClONO2 35 v7 (1) 2v9 (0) Wed Mar 29 00:35:33 2006 54 4063 5 0 7.4116E-008 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193295102621279E+004 1.00000000E+035 /A 20000 2.776304481247029E+003 1.00000000E+035 /B 30000 2.268394547618615E+003 1.00000000E+000 /C 200 -5.322151774527334E-004 1.00000000E+037 /-DJ 1100 -3.948927359337419E-003 1.00000000E+000 /-DJK 2000 -1.783780605750368E-002 1.00000000E+000 /-DK 40100 -1.055100744436270E-004 1.00000000E+000 /-dJ 41000 -1.294971213540864E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 3.056076030493092E-007 1.00000000E+000 /HKJ 3000 1.826697092461408E-006 1.00000000E+000 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 4.336790863567571E-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_2v9 10011 1.211695532515929E+004 1.00000000E+035 /A 20011 2.771324998837545E+003 1.00000000E+035 /B 30011 2.248161571504002E+003 1.00000000E+000 /C 211 -5.543759479336897E-004 1.00000000E+037 /-DJ 1111 -3.459455438928605E-003 1.00000000E+000 /-DJK 2011 1.447283031056512E-004 1.00000000E+000 /-DK 40111 -8.653158373410426E-005 1.00000000E+000 /-dJ 41011 -3.943636709636957E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -2.764281657096484E-007 1.00000000E+000 /HKJ 3011 -2.992619976765022E-006 1.00000000E+000 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 4.336790863567571E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038023164385911E+005 1.00000000E+005 /E_v7 40001 3.556504786567319E-001 1.00000000E+000 40101 1.816361416268371E-006 1.00000000E+000 41001 -1.780162081911900E-004 1.00000000E+000 600001 -1.380936321769773E+003 1.00000000E+035 /Gc 600101 9.023027640398201E-003 1.00000000E+035 /GcJ 601001 1.448748254742481E-001 1.00000000E+035 /GcK 600201 2.027308125632939E-007 1.00000000E+000 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 -2.473360653363939E-004 1.00000000E+000 /GcKK 610001 -2.013247121617547E+001 1.00000000E+035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 7.073283382120903E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 6.807020273584634E-008 1.00000000E+000 /FabJK 612001 -3.648021680735937E-006 1.00000000E+000 /FabKK 620001 -9.616657180896527E-004 1.00000000E+000 /C3? 620101 1.074876611930791E-007 1.00000000E+000 /C3J 621001 -1.866589227880069E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! ! As below and interstates being added ! ideal C's ! ! none rejected ! ! RMS ERROR= 0.63826 0.63826 ! ClONO2 35 v7 (1) 2v9 (0) Wed Mar 29 09:42:00 2006 55 4063 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193288420438486E+004 1.00000000E+035 /A 20000 2.776283484040859E+003 1.00000000E+035 /B 30000 2.266986597246631E+003 1.00000000E+000 /C 200 -5.250528304753723E-004 1.00000000E+037 /-DJ 1100 -3.984937200177941E-003 1.00000000E+000 /-DJK 2000 -1.711276616056479E-002 1.00000000E+000 /-DK 40100 -1.090336488171500E-004 1.00000000E+000 /-dJ 41000 -1.210063582559954E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 2.164379024924941E-007 1.00000000E+000 /HKJ 3000 4.118324212621493E-008 1.00000000E-037 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 4.336790863567571E-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_2v9 10011 1.211704512606344E+004 1.00000000E+035 /A 20011 2.771306727394314E+003 1.00000000E+035 /B 30011 2.249569565951927E+003 1.00000000E+000 /C 211 -5.616105870089954E-004 1.00000000E+037 /-DJ 1111 -3.395434321696153E-003 1.00000000E+000 /-DJK 2011 -8.696568664963481E-004 1.00000000E+000 /-DK 40111 -8.303070164652514E-005 1.00000000E+000 /-dJ 41011 -4.022667250163472E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -2.194155127305581E-007 1.00000000E+000 /HKJ 3011 4.118324212621493E-008 1.00000000E-037 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 4.336790863567571E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.037984200769966E+005 1.00000000E+005 /E_v7 40001 3.563187000952313E-001 1.00000000E+000 /F+- 40101 1.874648978183429E-006 1.00000000E+000 /F+-J 41001 -1.830533917047236E-004 1.00000000E+000 /F+-K 50001 1.000000000000000E-025 1.00000000E-035 /F2+- 600001 -1.094263939657224E+003 1.00000000E+035 /Gc 600101 -1.441447844172809E-003 1.00000000E+035 /GcJ 601001 3.317752571095131E-001 1.00000000E+035 /GcK 600201 2.722637665729385E-007 1.00000000E+000 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 -2.664167198694502E-004 1.00000000E+000 /GcKK 610001 -1.495160449873749E+001 1.00000000E+035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 7.146559245450571E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 9.921081924230863E-008 1.00000000E+000 /FabJK 612001 -3.200734338325074E-006 1.00000000E+000 /FabKK 620001 -3.663346007516233E-003 1.00000000E+000 /C3 620101 1.374820008460793E-007 1.00000000E+000 /C3J 621001 -2.397567950553849E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! ! Both C's floated and HKJ's for the two states ! FabJ not used and one line correted ! ! 3757 transitions in fit, no rejected ! ! RMS ERROR= 0.63475 0.63475 ! ClONO2 35 v7 (1) 2v9 (0) Tue Mar 28 23:51:45 2006 54 4043 15 0 2.3666E-009 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193289549416525E+004 1.00000000E+035 /A 20000 2.776282870370550E+003 1.00000000E+035 /B 30000 2.266934005749245E+003 1.00000000E+000 /C 200 -5.255699193385529E-004 1.00000000E+037 /-DJ 1100 -3.976601688915498E-003 1.00000000E+000 /-DJK 2000 -1.717019071272057E-002 1.00000000E+000 /-DK 40100 -1.087761887368152E-004 1.00000000E+000 /-dJ 41000 -1.226689136169895E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 2.033925186487611E-007 1.00000000E+000 /HKJ 3000 4.118324212621493E-008 1.00000000E-037 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 4.336790863567571E-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_2v9 10011 1.211703617429301E+004 1.00000000E+035 /A 20011 2.771305537856615E+003 1.00000000E+035 /B 30011 2.249622251003599E+003 1.00000000E+000 /C 211 -5.610874085002434E-004 1.00000000E+037 /-DJ 1111 -3.402490622231718E-003 1.00000000E+000 /-DJK 2011 -8.582179223709110E-004 1.00000000E+000 /-DK 40111 -8.328026971084379E-005 1.00000000E+000 /-dJ 41011 -4.005419360241330E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -2.078344701685057E-007 1.00000000E+000 /HKJ 3011 4.118324212621493E-008 1.00000000E-037 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 4.336790863567571E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.037995374690206E+005 1.00000000E+005 /E_v7 40001 3.563491111880990E-001 1.00000000E+000 40101 1.893700979072140E-006 1.00000000E+000 41001 -1.836689245071207E-004 1.00000000E+000 600001 -1.082149059105096E+003 1.00000000E+035 /Gc 600101 -1.650255527395792E-003 1.00000000E+035 /GcJ 601001 3.380320442696257E-001 1.00000000E+035 /GcK 600201 2.693403428967936E-007 1.00000000E+000 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 -2.619069223616185E-004 1.00000000E+000 /GcKK 610001 -1.469246479403493E+001 1.00000000E+035 /Fab 610101 1.000000000000000E-025 1.00000000E-035 /FabJ 611001 7.136556793012255E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.036208071170458E-007 1.00000000E+000 /FabJK 612001 -3.153702300709992E-006 1.00000000E+000 /FabKK 620001 -3.677273779434242E-003 1.00000000E+000 /C3? 620101 1.336127025649859E-007 1.00000000E+000 /C3J 621001 -2.400542717981433E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! ! Both C's floated and HKJ's for the two states ! ! 3757 transitions in fit, no rejected ! ! RMS ERROR= 0.62536 0.62536 ! ClONO2 35 v7 (1) 2v9 (0) Tue Mar 28 23:40:40 2006 54 4043 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193289959519533E+004 1.00000000E+035 /A 20000 2.776282167351228E+003 1.00000000E+035 /B 30000 2.266886263537569E+003 1.00000000E+000 /C 200 -5.255749048124536E-004 1.00000000E+037 /-DJ 1100 -3.968601043945527E-003 1.00000000E+000 /-DJK 2000 -1.720649208489096E-002 1.00000000E+000 /-DK 40100 -1.087773021116119E-004 1.00000000E+000 /-dJ 41000 -1.248750728273580E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 1.976117580938666E-007 1.00000000E+000 /HKJ 3000 4.118324212621493E-008 1.00000000E-037 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 4.336790863567571E-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_2v9 10011 1.211702282767369E+004 1.00000000E+035 /A 20011 2.771304299076455E+003 1.00000000E+035 /B 30011 2.249670156490171E+003 1.00000000E+000 /C 211 -5.610781063887742E-004 1.00000000E+037 /-DJ 1111 -3.408802144908814E-003 1.00000000E+000 /-DJK 2011 -8.126939818074437E-004 1.00000000E+000 /-DK 40111 -8.326722763072300E-005 1.00000000E+000 /-dJ 41011 -3.983248452885497E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -2.031971767618809E-007 1.00000000E+000 /HKJ 3011 4.118324212621493E-008 1.00000000E-037 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 4.336790863567571E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038000422270923E+005 1.00000000E+005 /E_v7 40001 3.561382923004545E-001 1.00000000E+000 40101 1.891024082622012E-006 1.00000000E+000 41001 -1.824533931032434E-004 1.00000000E+000 600001 -1.071019688113579E+003 1.00000000E+035 /Gc 600101 -2.110745081281046E-003 1.00000000E+035 /GcJ 601001 3.444498149624352E-001 1.00000000E+035 /GcK 600201 2.723647117879933E-007 1.00000000E+000 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 -2.624369019505940E-004 1.00000000E+000 /GcKK 610001 -1.442004600780969E+001 1.00000000E+035 /Fab 610101 -6.364064667795513E-006 1.00000000E+035 /FabJ 611001 7.072734701786375E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.059538823616721E-007 1.00000000E+000 /FabJK 612001 -3.130537957039024E-006 1.00000000E+000 /FabKK 620001 -3.642509505526542E-003 1.00000000E+000 /C3? 620101 1.325548750263564E-007 1.00000000E+000 /C3J 621001 -2.400947141948678E-005 1.00000000E+000 /C3K ! !----------------------------------------------------------------------- ! ! On addition of HKJ's for the too states, some asymmetry but very economic ! in number of constants ! ! 3757 transitions in fit, no rejected ! ! RMS ERROR= 0.64254 0.64254 ! ! ClONO2 35 v7 (1) 2v9 (0) Tue Mar 28 23:21:03 2006 54 4043 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193290360344509E+004 1.00000000E+035 /A 20000 2.776273323806025E+003 1.00000000E+035 /B 30000 2.266300130000000E+003 1.00000000E-035 /C 200 -5.285428332035340E-004 1.00000000E+037 /-DJ 1100 -3.856907912973758E-003 1.00000000E+000 /-DJK 2000 -1.728983542292447E-002 1.00000000E+000 /-DK 40100 -1.072745379923437E-004 1.00000000E+000 /-dJ 41000 -1.441901116863926E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 1.020314518640200E-007 1.00000000E+000 /HKJ 3000 4.118324212621493E-008 1.00000000E-037 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 4.336790863567571E-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_2v9 10011 1.211702457353458E+004 1.00000000E+035 /A 20011 2.771294161430891E+003 1.00000000E+035 /B 30011 2.250256354232942E+003 1.00000000E+000 /C 211 -5.580524738144383E-004 1.00000000E+037 /-DJ 1111 -3.504449369067525E-003 1.00000000E+000 /-DJK 2011 -7.369228527845772E-004 1.00000000E+000 /-DK 40111 -8.473455651975567E-005 1.00000000E+000 /-dJ 41011 -3.782005844648441E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -1.207825937281085E-007 1.00000000E+000 /HKJ 3011 4.118324212621493E-008 1.00000000E-037 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 4.336790863567571E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038001931567871E+005 1.00000000E+005 /E_v7 40001 3.557053909524441E-001 1.00000000E+000 40101 1.951410264006204E-006 1.00000000E+000 41001 -1.810665512638932E-004 1.00000000E+000 600001 -9.230762902653597E+002 1.00000000E+035 /Gc 600101 -6.386948540601008E-003 1.00000000E+035 /GcJ 601001 4.226822697390669E-001 1.00000000E+035 /GcK 600201 2.740237938269098E-007 1.00000000E+000 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 -2.381630120921220E-004 1.00000000E+000 /GcKK 610001 -1.127199725091889E+001 1.00000000E+035 /Fab 610101 -2.320961625688029E-005 1.00000000E+035 /FabJ 611001 7.072880444339517E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.116897575811600E-007 1.00000000E+000 /FabJK 612001 -2.877493104397568E-006 1.00000000E+000 /FabKK 620001 -3.839518993940712E-003 1.00000000E+000 /C3? 620101 1.275162844644290E-007 1.00000000E+000 /C3J 621001 -2.350459032735101E-005 1.00000000E+000 /C3K ! !-------------------------------------------------------------------------------- ! Fixed C0 but floating DE ! ! 17 rejected after some relabelling ! ! RMS ERROR= 1.08993 1.08993 ! ClONO2 35 v7 (1) 2v9 (0) Tue Mar 28 23:11:49 2006 54 4042 15 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193291865110352E+004 1.00000000E+035 /A 20000 2.776246392429894E+003 1.00000000E+035 /B 30000 2.266300137976196E+003 1.00000000E-035 /C 200 -5.647418572894897E-004 1.00000000E+037 /-DJ 1100 -3.205084479249182E-003 1.00000000E+000 /-DJK 2000 -1.747487225348554E-002 1.00000000E+000 /-DK 40100 -8.927708522784936E-005 1.00000000E+000 /-dJ 41000 -3.067431603816413E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 -2.371293561510047E-008 1.00000000E-037 /HKJ 3000 4.118324212621493E-008 1.00000000E-037 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 4.336790863567571E-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_2v9 10011 1.211712874413031E+004 1.00000000E+035 /A 20011 2.771256948817060E+003 1.00000000E+035 /B 30011 2.250256905862073E+003 1.00000000E+000 /C 211 -5.215770779311924E-004 1.00000000E+037 /-DJ 1111 -4.114064437551634E-003 1.00000000E+000 /-DJK 2011 -3.141883291433638E-004 1.00000000E+000 /-DK 40111 -1.025847505042054E-004 1.00000000E+000 /-dJ 41011 -2.165425874143416E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -2.371293561510047E-008 1.00000000E-037 /HKJ 3011 4.118324212621493E-008 1.00000000E-037 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 4.336790863567571E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038003711890079E+005 1.00000000E+005 /E_v7 40001 3.487762694417566E-001 1.00000000E+000 40101 2.259948473994582E-006 1.00000000E+000 41001 -1.422286797230041E-004 1.00000000E+000 600001 -9.238464851989560E+002 1.00000000E+035 /Gc 600101 -1.997902130403237E-003 1.00000000E+035 /GcJ 601001 5.598753924715930E-001 1.00000000E+035 /GcK 600201 3.135879990794257E-008 1.00000000E+000 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 -2.643538320090614E-004 1.00000000E+000 /GcKK 610001 -2.155926986524065E+000 1.00000000E+035 /Fab 610101 -3.580280137215669E-004 1.00000000E+035 /FabJ 611001 3.184738136395578E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 -1.941879145696732E-008 1.00000000E+000 /FabJK 612001 -1.705454481133339E-006 1.00000000E+000 /FabKK 620001 1.138967840708109E-002 1.00000000E+000 /C3? 620101 -2.445055904330383E-007 1.00000000E+000 /C3J 621001 -6.938691879012160E-007 1.00000000E+000 /C3K ! !-------------------------------------------------------------------------------- ! 14 rejected ! RMS ERROR= 2.36357 2.36349 ! ClONO2 35 v7 (1) 2v9 (0) Tue Mar 28 20:43:48 2006 52 4044 15 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.193272912146579E+004 1.00000000E+035 /A 20000 2.776247856814722E+003 1.00000000E+035 /B 30000 2.266100137976196E+003 1.00000000E-035 /C 200 -5.462737527174748E-004 1.00000000E+037 /-DJ 1100 -3.499928810214654E-003 1.00000000E+000 /-DJK 2000 -1.611150966570743E-002 1.00000000E+000 /-DK 40100 -9.956037443182042E-005 1.00000000E+000 /-dJ 41000 -2.665863762365422E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 -2.371293561510047E-008 1.00000000E-037 /HKJ 3000 4.118324212621493E-008 1.00000000E-037 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 4.336790863567571E-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_2v9 10011 1.211713167990824E+004 1.00000000E+035 /A 20011 2.771255559306032E+003 1.00000000E+035 /B 30011 2.250459113836204E+003 1.00000000E-035 /C 211 -5.405254408078575E-004 1.00000000E+037 /-DJ 1111 -3.796640155062855E-003 1.00000000E+000 /-DJK 2011 -7.403211717977078E-005 1.00000000E+000 /-DK 40111 -9.246744200447368E-005 1.00000000E+000 /-dJ 41011 -2.547464039995966E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -2.371293561510047E-008 1.00000000E-037 /HKJ 3011 4.118324212621493E-008 1.00000000E-037 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 4.336790863567571E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.037978852072662E+005 1.00000000E+005 /E_v7 40001 3.247753477763661E-001 1.00000000E+000 600001 -8.671460276678500E+002 1.00000000E+035 /Gc 600101 -1.258551118200492E-002 1.00000000E+035 /GcJ 601001 7.647921750431678E-001 1.00000000E+035 /GcK 600201 2.564209972187440E-007 1.00000000E+000 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 -3.557923113092320E-004 1.00000000E+000 /GcKK 610001 -1.199752310532816E+000 1.00000000E+035 /Fab 610101 -4.060997261139534E-004 1.00000000E+035 /FabJ 611001 2.967832375282388E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.134490307860427E-007 1.00000000E+000 /FabJK 612001 -2.102163848260300E-006 1.00000000E+000 /FabKK 620001 9.251981478123488E-003 1.00000000E+000 /C3? 620101 -1.466361423551470E-007 1.00000000E+000 /C3J 621001 -1.531392048172785E-005 1.00000000E+000 /C3K ! !-------------------------------------------------------------------------------- ! ! ! A-reduction ! ! 132 rejected ! RMS ERROR= 6.84153 6.84153 ! ClONO2 35 v7 (1) 2v9 (0) Mon Mar 27 19:36:09 2006 51 4044 15 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.193323146094952E+004 1.00000000E+035 /A 20000 2.776246761820068E+003 1.00000000E+035 /B 30000 2.266100137976196E+003 1.00000000E+035 /C 200 -5.222306637699326E-004 1.00000000E+037 /-DJ 1100 -3.806365142814194E-003 1.00000000E+000 /-DJK 2000 -1.911606046484760E-002 1.00000000E+000 /-DK 40100 -1.118794263060588E-004 1.00000000E+000 /-dJ 41000 -2.214695665150077E-003 1.00000000E+000 /-dK 300 -1.448835788401764E-010 1.00000000E-037 /HJ 1200 -3.144981611221958E-009 1.00000000E-037 /HJK 2100 -2.371293561510047E-008 1.00000000E-037 /HKJ 3000 4.118324212621493E-008 1.00000000E-037 /HK 40200 -1.957967381829306E-011 1.00000000E-037 /hJ 41100 -1.740318408201780E-009 1.00000000E-037 /hJK 42000 4.336790863567571E-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_2v9 10011 1.211670521102852E+004 1.00000000E+035 /A 20011 2.771255896000371E+003 1.00000000E+035 /B 30011 2.250459113836204E+003 1.00000000E+035 /C 211 -5.656008356685853E-004 1.00000000E+037 /-DJ 1111 -3.465874412453158E-003 1.00000000E+000 /-DJK 2011 4.909689996254809E-004 1.00000000E+000 /-DK 40111 -8.050951600625640E-005 1.00000000E+000 /-dJ 41011 -3.051464893499418E-003 1.00000000E+000 /-dK 311 -1.448835788401764E-010 1.00000000E-037 /HJ 1211 -3.144981611221958E-009 1.00000000E-037 /HJK 2111 -2.371293561510047E-008 1.00000000E-037 /HKJ 3011 4.118324212621493E-008 1.00000000E-037 /HK 40211 -1.957967381829306E-011 1.00000000E-037 /hJ 41111 -1.740318408201780E-009 1.00000000E-037 /hJK 42011 4.336790863567571E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038073600000000E+005 1.00000000E-035 /E_v7 600001 -8.664930534098385E+002 1.00000000E+035 /Gc 600101 -2.546056890229825E-002 1.00000000E+035 /GcJ 601001 9.632750728249049E-001 1.00000000E+035 /GcK 600201 6.453292651204173E-007 1.00000000E+000 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 -3.771699052306335E-004 1.00000000E+000 /GcKK 610001 -5.682724750372676E-001 1.00000000E+035 /Fab 610101 -4.127717174263082E-004 1.00000000E+035 /FabJ 611001 2.417105998786961E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 2.737277855602729E-007 1.00000000E+000 /FabJK 612001 -1.467707726392729E-006 1.00000000E+000 /FabKK 620001 8.205905296766125E-003 1.00000000E+000 /C3? 620101 -6.167506210418774E-008 1.00000000E+000 /C3J 621001 -2.201541767793676E-005 1.00000000E+000 /C3K ! !-------------------------------------------------------------------------------- ! ! Use of C3 term very promising, C's and most quartics sensible ! ! 147 rejected ! RMS ERROR= 7.11031 7.11030 ! ! ClONO2 35 v7 (1) 2v9 (0) Mon Mar 27 11:15:17 2006 49 4044 15 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.193319718960598E+004 1.00000000E+035 /A 20000 2.776233725593800E+003 1.00000000E+035 /B 30000 2.266552933652586E+003 1.00000000E+035 /C 200 -5.086933831201160E-004 1.00000000E+000 /-DJ 1100 -3.744359228005312E-003 1.00000000E+000 /-DJK 2000 -1.430387978442322E-002 1.00000000E+000 /-DK 40100 -1.020747268652887E-004 1.00000000E+000 /d1 50000 -1.721093074626139E-005 1.00000000E+000 /d2 300 3.362070144685128E-010 1.00000000E+000 /HJ 1200 -5.791377816042109E-009 1.00000000E-037 /HJK 2100 -1.486475363962286E-008 1.00000000E-037 /HKJ 3000 3.502384248050257E-008 1.00000000E-037 /HK 40200 -2.423073847845798E-011 1.00000000E-037 /h1 50100 -5.255385991248375E-012 1.00000000E-037 /h2 60000 4.503045202063395E-012 1.00000000E-037 /h3 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.211672593023221E+004 1.00000000E+035 /A 20011 2.771239472603014E+003 1.00000000E+035 /B 30011 2.250012964259285E+003 1.00000000E+035 /C 211 -5.074075684746964E-004 1.00000000E+000 /-DJ 1111 -3.955465547764037E-003 1.00000000E+000 /-DJK 2011 -3.643954307227118E-003 1.00000000E+000 /-DK 40111 -9.087920692308005E-005 1.00000000E+000 /d1 50011 -1.878421574480638E-005 1.00000000E+000 /d2 311 -6.504078437475474E-010 1.00000000E+000 /HJ 1211 -5.791377816042109E-009 1.00000000E-037 /HJK 2111 -1.486475363962286E-008 1.00000000E-037 /HKJ 3011 3.502384248050257E-008 1.00000000E-037 /HK 40211 -2.423073847845798E-011 1.00000000E-037 /h1 50111 -5.255385991248375E-012 1.00000000E-037 /h2 60011 4.503045202063395E-012 1.00000000E-037 /h3 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038156957292112E+005 1.00000000E+003 /E_v7 600001 -9.887145924596497E+002 1.00000000E+035 /Gc 600101 -1.395927765008928E-002 1.00000000E+035 /GcJ 601001 8.940989244655275E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.505105132185328E-005 1.00000000E+000 /GcJK 602001 -4.351517950547285E-004 1.00000000E+000 /GcKK 610001 -4.324854508020253E-001 1.00000000E+035 /Fab 610101 -2.546533355823002E-004 1.00000000E+035 /FabJ 611001 2.908619845997646E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 -2.616594168194741E-006 1.00000000E+000 /FabKK 620001 1.283627733942014E-002 1.00000000E+000 /C3? ! !----------------------------------------------------------------------- ! All quartics allowed to move, DJK still fairly stable ! ! 147 rejected ! RMS ERROR= 7.83194 7.83193 ! ClONO2 35 v7 (1) 2v9 (0) Mon Mar 27 11:12:26 2006 48 4044 15 0 0.0000E-000 5.0000E+001 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.193341385679661E+004 1.00000000E+035 /A 20000 2.776257174703054E+003 1.00000000E+035 /B 30000 2.266154974877496E+003 1.00000000E+035 /C 200 -5.198306502924979E-004 1.00000000E+000 /-DJ 1100 -3.709401647410035E-003 1.00000000E+000 /-DJK 2000 -1.376545820425981E-002 1.00000000E+000 /-DK 40100 -1.005321112485684E-004 1.00000000E+000 /d1 50000 -1.004019197225736E-005 1.00000000E+000 /d2 300 -1.345325909065547E-010 1.00000000E-037 /HJ 1200 -5.791377816042109E-009 1.00000000E-037 /HJK 2100 -1.486475363962286E-008 1.00000000E-037 /HKJ 3000 3.502384248050257E-008 1.00000000E-037 /HK 40200 -2.423073847845798E-011 1.00000000E-037 /h1 50100 -5.255385991248375E-012 1.00000000E-037 /h2 60000 4.503045202063395E-012 1.00000000E-037 /h3 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.211672152613854E+004 1.00000000E+035 /A 20011 2.771279805832050E+003 1.00000000E+035 /B 30011 2.250406729213684E+003 1.00000000E+035 /C 211 -4.965608992057526E-004 1.00000000E+000 /-DJ 1111 -4.033831472742369E-003 1.00000000E+000 /-DJK 2011 -6.147694940988394E-003 1.00000000E+000 /-DK 40111 -9.207931788458948E-005 1.00000000E+000 /d1 50011 -2.553669982442021E-005 1.00000000E+000 /d2 311 -1.345325909065547E-010 1.00000000E-037 /HJ 1211 -5.791377816042109E-009 1.00000000E-037 /HJK 2111 -1.486475363962286E-008 1.00000000E-037 /HKJ 3011 3.502384248050257E-008 1.00000000E-037 /HK 40211 -2.423073847845798E-011 1.00000000E-037 /h1 50111 -5.255385991248375E-012 1.00000000E-037 /h2 60011 4.503045202063395E-012 1.00000000E-037 /h3 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038233300951339E+005 1.00000000E+003 /E_v7 600001 -8.815025760803159E+002 1.00000000E+035 /Gc 600101 -4.202075729505235E-003 1.00000000E+035 /GcJ 601001 4.336770670832502E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.836572759408479E-005 1.00000000E+000 /GcJK 602001 -2.352891845155264E-004 1.00000000E+000 /GcKK 610001 -8.018066101635105E+000 1.00000000E+035 /Fab 610101 1.552852243207780E-004 1.00000000E+035 /FabJ 611001 6.133203962316786E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 -3.037242172740439E-006 1.00000000E+000 /FabKK ! ! !----------------------------------------------------------------------- ! C's not so brilliant but DJ's very good ! ! 358 rejected ! RMS ERROR= 12.41664 12.41664 ! ClONO2 35 v7 (1) 2v9 (0) Mon Mar 27 10:49:01 2006 48 4044 15 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.192899354624841E+004 1.00000000E+035 /A 20000 2.776200842018486E+003 1.00000000E+035 /B 30000 2.266025030223916E+003 1.00000000E+035 /C 200 -5.090931524258023E-004 1.00000000E+000 /-DJ 1100 -3.854579297512404E-003 1.00000000E-030 /-DJK 2000 -9.471805462236221E-003 1.00000000E-030 /-DK 40100 -1.022273657439740E-004 1.00000000E+000 /d1 50000 -1.773711985542159E-005 1.00000000E-030 /d2 300 -1.345325909065547E-010 1.00000000E-037 /HJ 1200 -5.791377816042109E-009 1.00000000E-037 /HJK 2100 -1.486475363962286E-008 1.00000000E-037 /HKJ 3000 3.502384248050257E-008 1.00000000E-037 /HK 40200 -2.423073847845798E-011 1.00000000E-037 /h1 50100 -5.255385991248375E-012 1.00000000E-037 /h2 60000 4.503045202063395E-012 1.00000000E-037 /h3 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.212132031718102E+004 1.00000000E+035 /A 20011 2.771313834420934E+003 1.00000000E+035 /B 30011 2.250549385587207E+003 1.00000000E+035 /C 211 -5.092199433035972E-004 1.00000000E+000 /-DJ 1111 -3.854579297512404E-003 1.00000000E-030 /-DJK 2011 -9.471805462236221E-003 1.00000000E-030 /-DK 40111 -8.787177952252265E-005 1.00000000E+000 /d1 50011 -1.773711985542159E-005 1.00000000E-030 /d2 311 -1.345325909065547E-010 1.00000000E-037 /HJ 1211 -5.791377816042109E-009 1.00000000E-037 /HJK 2111 -1.486475363962286E-008 1.00000000E-037 /HKJ 3011 3.502384248050257E-008 1.00000000E-037 /HK 40211 -2.423073847845798E-011 1.00000000E-037 /h1 50111 -5.255385991248375E-012 1.00000000E-037 /h2 60011 4.503045202063395E-012 1.00000000E-037 /h3 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.033011127282937E+005 1.00000000E+003 /E_v7 600001 -8.243353552875026E+002 1.00000000E+035 /Gc 600101 -1.206024333379726E-002 1.00000000E+035 /GcJ 601001 4.445396029975782E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.346114157237580E-005 1.00000000E+000 /GcJK 602001 1.197368241888562E-004 1.00000000E+000 /GcKK 610001 -7.842396470802136E+000 1.00000000E+035 /Fab 610101 2.710806705375411E-004 1.00000000E+035 /FabJ 611001 9.595400523422809E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 -8.515828572230004E-007 1.00000000E+000 /FabKK ! ! !----------------------------------------------------------------------- ! ! slightly worse but still promising C's, better overall result ! ! 343 rejected ! RMS ERROR= 14.56951 14.56951 ! ClONO2 35 v7 (1) 2v9 (0) Mon Mar 27 10:40:40 2006 48 4044 15 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.192824943179884E+004 1.00000000E+035 /A 20000 2.776178963586090E+003 1.00000000E+035 /B 30000 2.266027698825566E+003 1.00000000E+035 /C 200 -5.193368092563351E-004 1.00000000E+000 /-DJ 1100 -3.854579297512404E-003 1.00000000E-030 /-DJK 2000 -9.471805462236221E-003 1.00000000E-030 /-DK 40100 -9.569230117171580E-005 1.00000000E-030 /d1 50000 -1.773711985542159E-005 1.00000000E-030 /d2 300 -1.345325909065547E-010 1.00000000E-037 /HJ 1200 -5.791377816042109E-009 1.00000000E-037 /HJK 2100 -1.486475363962286E-008 1.00000000E-037 /HKJ 3000 3.502384248050257E-008 1.00000000E-037 /HK 40200 -2.423073847845798E-011 1.00000000E-037 /h1 50100 -5.255385991248375E-012 1.00000000E-037 /h2 60000 4.503045202063395E-012 1.00000000E-037 /h3 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.212188375957017E+004 1.00000000E+035 /A 20011 2.771340040670162E+003 1.00000000E+035 /B 30011 2.250541708501633E+003 1.00000000E+035 /C 211 -4.985306916017618E-004 1.00000000E+000 /-DJ 1111 -3.854579297512404E-003 1.00000000E-030 /-DJK 2011 -9.471805462236221E-003 1.00000000E-030 /-DK 40111 -9.569230117171580E-005 1.00000000E-030 /d1 50011 -1.773711985542159E-005 1.00000000E-030 /d2 311 -1.345325909065547E-010 1.00000000E-037 /HJ 1211 -5.791377816042109E-009 1.00000000E-037 /HJK 2111 -1.486475363962286E-008 1.00000000E-037 /HKJ 3011 3.502384248050257E-008 1.00000000E-037 /HK 40211 -2.423073847845798E-011 1.00000000E-037 /h1 50111 -5.255385991248375E-012 1.00000000E-037 /h2 60011 4.503045202063395E-012 1.00000000E-037 /h3 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.032243636179381E+005 1.00000000E+003 /E_v7 600001 -8.249983092302275E+002 1.00000000E+035 /Gc 600101 -5.575806055368992E-003 1.00000000E+035 /GcJ 601001 5.992878547898762E-001 1.00000000E+035 /GcK 600201 1.000000000000000E-025 1.00000000E-035 /GcJJ 601101 1.000000000000000E-025 1.00000000E-035 /GcJK 602001 1.000000000000000E-025 1.00000000E-035 /GcKK 610001 -5.576999838588931E+000 1.00000000E+035 /Fab 610101 9.730944848483012E-005 1.00000000E+035 /FabJ 611001 6.743046945638104E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK ! ! !----------------------------------------------------------------------- ! ! very promising C's ! ! 780 rejected and interstates not used ! ! RMS ERROR= 17.92707 17.92707 ! ClONO2 35 v7 (1) 2v9 (0) Mon Mar 27 10:20:05 2006 45 4044 15 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.193048072137696E+004 1.00000000E+035 /A 20000 2.776281162151065E+003 1.00000000E+035 /B 30000 2.266519326243792E+003 1.00000000E+035 /C 200 -5.244040431894048E-004 1.00000000E+000 /-DJ 1100 -3.854579297512404E-003 1.00000000E-030 /-DJK 2000 -9.471805462236221E-003 1.00000000E-030 /-DK 40100 -9.569230117171580E-005 1.00000000E-030 /d1 50000 -1.773711985542159E-005 1.00000000E-030 /d2 300 -1.345325909065547E-010 1.00000000E-037 /HJ 1200 -5.791377816042109E-009 1.00000000E-037 /HJK 2100 -1.486475363962286E-008 1.00000000E-037 /HKJ 3000 3.502384248050257E-008 1.00000000E-037 /HK 40200 -2.423073847845798E-011 1.00000000E-037 /h1 50100 -5.255385991248375E-012 1.00000000E-037 /h2 60000 4.503045202063395E-012 1.00000000E-037 /h3 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.211918098193097E+004 1.00000000E+035 /A 20011 2.771257210279405E+003 1.00000000E+035 /B 30011 2.250060157065198E+003 1.00000000E+035 /C 211 -4.916998847259264E-004 1.00000000E+000 /-DJ 1111 -3.854579297512404E-003 1.00000000E-030 /-DJK 2011 -9.471805462236221E-003 1.00000000E-030 /-DK 40111 -9.569230117171580E-005 1.00000000E-030 /d1 50011 -1.773711985542159E-005 1.00000000E-030 /d2 311 -1.345325909065547E-010 1.00000000E-037 /HJ 1211 -5.791377816042109E-009 1.00000000E-037 /HJK 2111 -1.486475363962286E-008 1.00000000E-037 /HKJ 3011 3.502384248050257E-008 1.00000000E-037 /HK 40211 -2.423073847845798E-011 1.00000000E-037 /h1 50111 -5.255385991248375E-012 1.00000000E-037 /h2 60011 4.503045202063395E-012 1.00000000E-037 /h3 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.037769816913136E+005 1.00000000E+003 /E_v7 600001 -9.719843913670020E+002 1.00000000E+035 /Gc 600101 3.945486601168501E-003 1.00000000E+035 /GcJ 601001 1.804341614607820E-001 1.00000000E+035 /GcK 610001 -1.008101996988583E+001 1.00000000E+035 /Fab 610101 7.579926813450509E-005 1.00000000E+035 /FabJ 611001 -4.158750222495291E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK ! ! ! !----------------------------------------------------------------------- ! First results with experimental II ! ! 49 excluded ! RMS ERROR= 75.93541 75.93539 ! ClONO2 35 v7 (1) 2v9 (0) Mon Mar 27 10:11:30 2006 45 4064 15 0 0.0000E+000 5.0000E+002 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.193230228509886E+004 1.00000000E+035 /A 20000 2.776246173949081E+003 1.00000000E+035 /B 30000 2.266153786516619E+003 1.00000000E+035 /C 200 -5.007562193270599E-004 1.00000000E-037 /-DJ 1100 -3.854579297512404E-003 1.00000000E-037 /-DJK 2000 -9.471805462236221E-003 1.00000000E-037 /-DK 40100 -9.569230117171580E-005 1.00000000E-037 /d1 50000 -1.773711985542159E-005 1.00000000E-037 /d2 300 -1.345325909065547E-010 1.00000000E-037 /HJ 1200 -5.791377816042109E-009 1.00000000E-037 /HJK 2100 -1.486475363962286E-008 1.00000000E-037 /HKJ 3000 3.502384248050257E-008 1.00000000E-037 /HK 40200 -2.423073847845798E-011 1.00000000E-037 /h1 50100 -5.255385991248375E-012 1.00000000E-037 /h2 60000 4.503045202063395E-012 1.00000000E-037 /h3 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.211834468974212E+004 1.00000000E+035 /A 20011 2.771202053962082E+003 1.00000000E+035 /B 30011 2.250309315639157E+003 1.00000000E+035 /C 211 -5.007562193270599E-004 1.00000000E-037 /-DJ 1111 -3.854579297512404E-003 1.00000000E-037 /-DJK 2011 -9.471805462236221E-003 1.00000000E-037 /-DK 40111 -9.569230117171580E-005 1.00000000E-037 /d1 50011 -1.773711985542159E-005 1.00000000E-037 /d2 311 -1.345325909065547E-010 1.00000000E-037 /HJ 1211 -5.791377816042109E-009 1.00000000E-037 /HJK 2111 -1.486475363962286E-008 1.00000000E-037 /HKJ 3011 3.502384248050257E-008 1.00000000E-037 /HK 40211 -2.423073847845798E-011 1.00000000E-037 /h1 50111 -5.255385991248375E-012 1.00000000E-037 /h2 60011 4.503045202063395E-012 1.00000000E-037 /h3 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038073634152138E+005 1.00000000E-035 /E_v7 600001 -8.962793107651472E+002 1.00000000E+035 /Gc 600101 -1.578400104492863E-003 1.00000000E+035 /GcJ 601001 6.672944884441212E-002 1.00000000E+035 /GcK 610001 -8.710799659488213E+000 1.00000000E+035 /Fab 610101 -2.031644752229346E-004 1.00000000E+035 /FabJ 611001 -3.970957172342104E-003 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK ! ! ! !----------------------------------------------------------------------- ! Experimental II ! ! ClONO2 35 v7 (1) 2v9 (0) Sun Mar 26 18:56:17 2006 45 4064 15 0 0.0000E+000 5.0000E+004 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.190349530000000E+004 1.00000000E+035 /A 20000 2.776628600000000E+003 1.00000000E+035 /B 30000 2.266115100000000E+003 1.00000000E+035 /C 200 -5.007562193270599E-004 1.00000000E-037 /-DJ 1100 -3.854579297512404E-003 1.00000000E-037 /-DJK 2000 -9.471805462236221E-003 1.00000000E-037 /-DK 40100 -9.569230117171580E-005 1.00000000E-037 /d1 50000 -1.773711985542159E-005 1.00000000E-037 /d2 300 -1.345325909065547E-010 1.00000000E-037 /HJ 1200 -5.791377816042109E-009 1.00000000E-037 /HJK 2100 -1.486475363962286E-008 1.00000000E-037 /HKJ 3000 3.502384248050257E-008 1.00000000E-037 /HK 40200 -2.423073847845798E-011 1.00000000E-037 /h1 50100 -5.255385991248375E-012 1.00000000E-037 /h2 60000 4.503045202063395E-012 1.00000000E-037 /h3 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.211609626520762E+004 1.00000000E+035 /A 20011 2.771273654487775E+003 1.00000000E+035 /B 30011 2.249738400000000E+003 1.00000000E+035 /C 211 -5.007562193270599E-004 1.00000000E-037 /-DJ 1111 -3.854579297512404E-003 1.00000000E-037 /-DJK 2011 -9.471805462236221E-003 1.00000000E-037 /-DK 40111 -9.569230117171580E-005 1.00000000E-037 /d1 50011 -1.773711985542159E-005 1.00000000E-037 /d2 311 -1.345325909065547E-010 1.00000000E-037 /HJ 1211 -5.791377816042109E-009 1.00000000E-037 /HJK 2111 -1.486475363962286E-008 1.00000000E-037 /HKJ 3011 3.502384248050257E-008 1.00000000E-037 /HK 40211 -2.423073847845798E-011 1.00000000E-037 /h1 50111 -5.255385991248375E-012 1.00000000E-037 /h2 60011 4.503045202063395E-012 1.00000000E-037 /h3 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038073634152138E+005 1.00000000E-035 /E_v7 600001 8.517041082253400E+002 1.00000000E+035 /Gc 600101 8.517041082253400E-003 1.00000000E+035 /GcJ 601001 8.517041082253400E-001 1.00000000E+035 /GcK 610001 8.517041082253400E-001 1.00000000E+035 /Fab 610101 1.381115480569081E-005 1.00000000E+035 /FabJ 611001 -1.759752757109830E-004 1.00000000E+035 /FabK 610201 1.000000000000000E-025 1.00000000E-035 /FabJJ 611101 1.000000000000000E-025 1.00000000E-035 /FabJK 612001 1.000000000000000E-025 1.00000000E-035 /FabKK ! ! ! !----------------------------------------------------------------------- ! Experimental ! ! ClONO2 35 v7 (1) 2v9 (0) Sun Mar 26 18:56:17 2006 44 4064 15 0 0.0000E+000 5.0000E+004 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.190349530000000E+004 1.00000000E+035 /A 20000 2.776628600000000E+003 1.00000000E+035 /B 30000 2.266115100000000E+003 1.00000000E+035 /C 200 -5.007562193270599E-004 1.00000000E-037 /-DJ 1100 -3.854579297512404E-003 1.00000000E-037 /-DJK 2000 -9.471805462236221E-003 1.00000000E-037 /-DK 40100 -9.569230117171580E-005 1.00000000E-037 /d1 50000 -1.773711985542159E-005 1.00000000E-037 /d2 300 -1.345325909065547E-010 1.00000000E-037 /HJ 1200 -5.791377816042109E-009 1.00000000E-037 /HJK 2100 -1.486475363962286E-008 1.00000000E-037 /HKJ 3000 3.502384248050257E-008 1.00000000E-037 /HK 40200 -2.423073847845798E-011 1.00000000E-037 /h1 50100 -5.255385991248375E-012 1.00000000E-037 /h2 60000 4.503045202063395E-012 1.00000000E-037 /h3 2200 1.000000000000000E-025 1.00000000E-035 /LKJ 3100 1.000000000000000E-025 1.00000000E-035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.211609626520762E+004 1.00000000E+035 /A 20011 2.771273654487775E+003 1.00000000E+035 /B 30011 2.249738400000000E+003 1.00000000E+035 /C 211 -5.007562193270599E-004 1.00000000E-037 /-DJ 1111 -3.854579297512404E-003 1.00000000E-037 /-DJK 2011 -9.471805462236221E-003 1.00000000E-037 /-DK 40111 -9.569230117171580E-005 1.00000000E-037 /d1 50011 -1.773711985542159E-005 1.00000000E-037 /d2 311 -1.345325909065547E-010 1.00000000E-037 /HJ 1211 -5.791377816042109E-009 1.00000000E-037 /HJK 2111 -1.486475363962286E-008 1.00000000E-037 /HKJ 3011 3.502384248050257E-008 1.00000000E-037 /HK 40211 -2.423073847845798E-011 1.00000000E-037 /h1 50111 -5.255385991248375E-012 1.00000000E-037 /h2 60011 4.503045202063395E-012 1.00000000E-037 /h3 2211 1.000000000000000E-025 1.00000000E-035 /LKJ 3111 1.000000000000000E-025 1.00000000E-035 /LKKJ 11 5.038073634152138E+005 1.00000000E-035 /E_v7 40001 1.000000000000000E-025 1.00000000E-035 /F+- 40101 1.000000000000000E-025 1.00000000E-035 /F+-J 41001 1.000000000000000E-025 1.00000000E-035 /F+-K 41101 1.000000000000000E-025 1.00000000E-035 /F+-JK 610001 8.517041082253400E+001 1.00000000E+035 /Fab 610101 1.381115480569081E-003 1.00000000E+035 /FabJ 611001 -1.759752757109830E-002 1.00000000E+035 /FabK 620001 1.000000000000000E-025 1.00000000E-035 /C3? ! ! !----------------------------------------------------------------------- ! As below but with explicit energy difference ! ClONO2 35 v7 (1) 2v9 (0) Sun Mar 26 11:58:51 2006 44 4064 5 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.193299722385292E+004 1.00000000E+035 /A 20000 2.776264701640709E+003 1.00000000E+035 /B 30000 2.264610800713160E+003 1.00000000E+035 /C 200 -5.331376267398143E-004 1.00000000E+035 /-DJ 1100 -2.927695751288428E-003 1.00000000E+035 /-DJK 2000 -1.850161234165288E-002 1.00000000E+035 /-DK 40100 -8.636976009345782E-005 1.00000000E+035 /d1 50000 -1.928657472591914E-005 1.00000000E+035 /d2 300 -3.623889316892574E-010 1.00000000E+035 /HJ 1200 1.564362106977440E-008 1.00000000E+035 /HJK 2100 -5.235136942022912E-007 1.00000000E+035 /HKJ 3000 1.000000000000000E-025 1.00000000E-035 /HK 40200 3.111903660084352E-010 1.00000000E+035 /h1 50100 -1.696459882664844E-010 1.00000000E+035 /h2 60000 3.491827462836926E-011 1.00000000E+035 /h3 2200 -7.632107559601004E-012 1.00000000E+035 /LKJ 3100 1.196217745715299E-010 1.00000000E+035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.211688565665961E+004 1.00000000E+035 /A 20011 2.771272095449632E+003 1.00000000E+035 /B 30011 2.251956037070709E+003 1.00000000E+035 /C 211 -4.828816504463843E-004 1.00000000E+035 /-DJ 1111 -4.837127199971366E-003 1.00000000E+035 /-DJK 2011 2.178261827097790E-003 1.00000000E+035 /-DK 40111 -1.056840469478752E-004 1.00000000E+035 /d1 50011 -1.605296880805913E-005 1.00000000E+035 /d2 311 7.839873385056790E-011 1.00000000E+035 /HJ 1211 -2.099045144768125E-008 1.00000000E+035 /HJK 2111 4.886966611659923E-007 1.00000000E+035 /HKJ 3011 -7.888442621577167E-006 1.00000000E+035 /HK 40211 -3.385299539622184E-010 1.00000000E+035 /h1 50111 1.858144445070901E-010 1.00000000E+035 /h2 60011 -3.276964619080308E-011 1.00000000E+035 /h3 2211 7.913425645996310E-012 1.00000000E+035 /LKJ 3111 -1.243414526465841E-010 1.00000000E+035 /LKKJ 11 5.038073634152138E+005 1.00000000E+035 /E_v7 40001 -3.395901074588945E-001 1.00000000E+035 /F+- 40101 -6.935784801975550E-006 1.00000000E+035 /F+-J 41001 9.230268945285041E-005 1.00000000E+035 /F+-K 41101 2.723556604069704E-008 1.00000000E+035 /F+-JK 610001 5.176041367304578E+000 1.00000000E+035 /Fab 610101 8.046597615949106E-005 1.00000000E+035 /FabJ 611001 -1.467858299978768E-003 1.00000000E+035 /FabK 620001 -1.943646299849656E-003 1.00000000E+035 /C3? ! ! !----------------------------------------------------------------------- ! with only the two strongest interstates ! ! RMS ERROR= 0.60462 0.60462 ! ClONO2 35 v7 (1) 2v9 (0) Thu Oct 25 23:05:57 2007 44 4000 5 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.193301238578392E+004 1.00000000E+035 /A 20000 2.776264703318801E+003 1.00000000E+035 /B 30000 2.264610836568415E+003 1.00000000E+035 /C 200 -5.331875117737990E-004 1.00000000E+035 /-DJ 1100 -2.926415461888926E-003 1.00000000E+035 /-DJK 2000 -1.842374770250802E-002 1.00000000E+035 /-DK 40100 -8.635689394108245E-005 1.00000000E+035 /d1 50000 -1.923922699422371E-005 1.00000000E+035 /d2 300 -3.598333040612181E-010 1.00000000E+035 /HJ 1200 1.580621335883769E-008 1.00000000E+035 /HJK 2100 -5.227359238926266E-007 1.00000000E+035 /HKJ 3000 1.000000000000000E-025 1.00000000E-035 /HK 40200 3.091331287210739E-010 1.00000000E+035 /h1 50100 -1.697244746898781E-010 1.00000000E+035 /h2 60000 3.701410232225477E-011 1.00000000E+035 /h3 2200 -8.087053424766146E-012 1.00000000E+035 /LKJ 3100 1.195009456197936E-010 1.00000000E+035 /LKKJ 0 7.218240000000000E+006 1.00000000E-019 /E_2v9 10011 1.211690900323172E+004 1.00000000E+035 /A 20011 2.771272583816917E+003 1.00000000E+035 /B 30011 2.251955584427998E+003 1.00000000E+035 /C 211 -4.828848187021658E-004 1.00000000E+035 /-DJ 1111 -4.838541622403427E-003 1.00000000E+035 /-DJK 2011 2.273337051461896E-003 1.00000000E+035 /-DK 40111 -1.057139203073411E-004 1.00000000E+035 /d1 50011 -1.601482534230857E-005 1.00000000E+035 /d2 311 7.559443891567186E-011 1.00000000E+035 /HJ 1211 -2.090559319144147E-008 1.00000000E+035 /HJK 2111 4.872946260541906E-007 1.00000000E+035 /HKJ 3011 -8.021473040666483E-006 1.00000000E+035 /HK 40211 -3.365998279103955E-010 1.00000000E+035 /h1 50111 1.809111960093913E-010 1.00000000E+035 /h2 60011 -3.165029765792832E-011 1.00000000E+035 /h3 2211 8.295520817983111E-012 1.00000000E+035 /LKJ 3111 -1.237965576306343E-010 1.00000000E+035 /LKKJ 11 7.722048063939633E+006 1.00000000E+035 /E_v7 40001 -3.352851825738841E-001 1.00000000E+035 /F+- 40101 -8.495974992403205E-006 1.00000000E+035 /F+-J 41001 7.084685430772495E-005 1.00000000E+035 /F+-K 41101 3.520325610364427E-008 1.00000000E+035 /F+-JK 610001 5.216149604969434E+000 1.00000000E+035 /Fab 610101 7.713739743660877E-005 1.00000000E+035 /FabJ 611001 -1.497863138187298E-003 1.00000000E+035 /FabK 620001 -1.881583810156712E-003 1.00000000E+035 /C3? ! !----------------------------------------------------------------------- ! As below but Q's ignored as too borderline ! ! 3777 transitions ! ! MICROWAVE RMS = 0.061674 MHz ! RMS ERROR= 0.60388 0.60388 ! ClONO2 35 v7 (1) 2v9 (0) Sun Mar 26 11:01:17 2006 44 4065 5 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.193299568733400E+004 1.00000000E+035 /A 20000 2.776264746801769E+003 1.00000000E+035 /B 30000 2.264610725713393E+003 1.00000000E+035 /C 200 -5.331282948205468E-004 1.00000000E+035 /-DJ 1100 -2.927610855950088E-003 1.00000000E+035 /-DJK 2000 -1.848434940870710E-002 1.00000000E+035 /-DK 40100 -8.638343752467982E-005 1.00000000E+035 /d1 50000 -1.930679590182661E-005 1.00000000E+035 /d2 300 -3.647419198124594E-010 1.00000000E+035 /HJ 1200 1.567778378674307E-008 1.00000000E+035 /HJK 2100 -5.234537194689893E-007 1.00000000E+035 /HKJ 3000 1.000000000000000E-025 1.00000000E-035 /HK 40200 3.122898195326970E-010 1.00000000E+035 /h1 50100 -1.657213506181328E-010 1.00000000E+035 /h2 60000 3.642998340999573E-011 1.00000000E+035 /h3 2200 -7.620625598989912E-012 1.00000000E+035 /LKJ 3100 1.194108894892437E-010 1.00000000E+035 /LKKJ 0 7.218240000000000E+006 1.00000000E-019 /E_2v9 10011 1.211688532492344E+004 1.00000000E+035 /A 20011 2.771272028840368E+003 1.00000000E+035 /B 30011 2.251956079940502E+003 1.00000000E+035 /C 211 -4.828801704839303E-004 1.00000000E+035 /-DJ 1111 -4.837257514402853E-003 1.00000000E+035 /-DJK 2011 2.196486555061184E-003 1.00000000E+035 /-DK 40111 -1.056747863084300E-004 1.00000000E+035 /d1 50011 -1.604048395188289E-005 1.00000000E+035 /d2 311 7.832826257035250E-011 1.00000000E+035 /HJ 1211 -2.100319377077896E-008 1.00000000E+035 /HJK 2111 4.885169266374327E-007 1.00000000E+035 /HKJ 3011 -7.891736224856264E-006 1.00000000E+035 /HK 40211 -3.394001621020362E-010 1.00000000E+035 /h1 50111 1.842644549482486E-010 1.00000000E+035 /h2 60011 -3.292475703088061E-011 1.00000000E+035 /h3 2211 7.889254143216223E-012 1.00000000E+035 /LKJ 3111 -1.239723231087692E-010 1.00000000E+035 /LKKJ 11 7.722047433781489E+006 1.00000000E+035 /E_v7 40001 -3.396407346579469E-001 1.00000000E+035 /F+- 40101 -6.919808565707810E-006 1.00000000E+035 /F+-J 41001 9.266051660744873E-005 1.00000000E+035 /F+-K 41101 2.712231627801809E-008 1.00000000E+035 /F+-JK 610001 5.181039119060348E+000 1.00000000E+035 /Fab 610101 8.042203139438267E-005 1.00000000E+035 /FabJ 611001 -1.471676191613326E-003 1.00000000E+035 /FabK 620001 -1.933161653674767E-003 1.00000000E+035 /C3? ! ! !----------------------------------------------------------------------- ! After picking out all R-types and interstates from the FASSST spectrum ! (Qs not yet tackled) ! ! 3825 transitions ! ! MICROWAVE RMS = 0.080131 MHz ! RMS ERROR= 0.66811 0.66811 ! ! ClONO2 35 v7 (1) 2v9 (0) Sun Mar 26 10:22:32 2006 44 4299 5 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 10000 1.193296375784998E+004 1.00000000E+035 /A 20000 2.776264697053474E+003 1.00000000E+035 /B 30000 2.264611025861128E+003 1.00000000E+035 /C 200 -5.332152018595137E-004 1.00000000E+035 /-DJ 1100 -2.927894404532827E-003 1.00000000E+035 /-DJK 2000 -1.823450515906884E-002 1.00000000E+035 /-DK 40100 -8.640477416082256E-005 1.00000000E+035 /d1 50000 -1.930444549474914E-005 1.00000000E+035 /d2 300 -3.628221579153364E-010 1.00000000E+035 /HJ 1200 1.590150912394153E-008 1.00000000E+035 /HJK 2100 -5.208596747513705E-007 1.00000000E+035 /HKJ 3000 1.000000000000000E-025 1.00000000E-035 /HK 40200 3.136539581046963E-010 1.00000000E+035 /h1 50100 -1.625639393108472E-010 1.00000000E+035 /h2 60000 4.007158922787330E-011 1.00000000E+035 /h3 2200 -7.929240067830391E-012 1.00000000E+035 /LKJ 3100 1.175068954427532E-010 1.00000000E+035 /LKKJ 0 1.000000000000000E-025 1.00000000E-035 /E_2v9 10011 1.211687158163966E+004 1.00000000E+035 /A 20011 2.771272016644117E+003 1.00000000E+035 /B 30011 2.251956165009734E+003 1.00000000E+035 /C 211 -4.829110108361409E-004 1.00000000E+035 /-DJ 1111 -4.838563458998678E-003 1.00000000E+035 /-DJK 2011 2.521569923113700E-003 1.00000000E+035 /-DK 40111 -1.056788429903240E-004 1.00000000E+035 /d1 50011 -1.601059033700656E-005 1.00000000E+035 /d2 311 7.729388592026158E-011 1.00000000E+035 /HJ 1211 -2.099961947625551E-008 1.00000000E+035 /HJK 2111 4.894388040273322E-007 1.00000000E+035 /HKJ 3011 -8.057597889682634E-006 1.00000000E+035 /HK 40211 -3.399080094602334E-010 1.00000000E+035 /h1 50111 1.843288476051377E-010 1.00000000E+035 /h2 60011 -2.968580949493178E-011 1.00000000E+035 /h3 2211 8.115862950145516E-012 1.00000000E+035 /LKJ 3111 -1.237424431980191E-010 1.00000000E+035 /LKKJ 11 0.503804290000000E+006 1.00000000E+035 /E_v7 40001 -3.406737172989882E-001 1.00000000E+035 /F+- 40101 -6.708856500362633E-006 1.00000000E+035 /F+-J 41001 9.771748916866488E-005 1.00000000E+035 /F+-K 41101 2.610369821250090E-008 1.00000000E+035 /F+-JK 610001 5.207396457165030E+000 1.00000000E+035 /Fab 610101 7.930237235122603E-005 1.00000000E+035 /FabJ 611001 -1.501585876915423E-003 1.00000000E+035 /FabK 620001 -1.888855076196841E-003 1.00000000E+035 /C3? ! !----------------------------------------------------------------------- ! as original but annotated and reordered .PAR ! ! RMS ERROR= 0.65706 0.65706 ! ! ClONO2 35 v7 (1) 2v9 (0) 15:36Fri Mar 24 23:46:40 2006 50 12721 100 0 0.0000E+000 5.0000E+002 1.0000E+000 1.0000000000 's' 4 2 , , , 0 1 1 1 0 1 0 10000 1.193293081077546E+004 1.00000000E+035 /A 20000 2.776261145757179E+003 1.00000000E+035 /B 30000 2.264611435613139E+003 1.00000000E+035 /C 200 -5.326484950069070E-004 1.00000000E+035 /-DJ 1100 -2.914593519934983E-003 1.00000000E+035 /-DK 2000 -1.815796404241949E-002 1.00000000E+035 /-DJK 40100 -8.593751283744031E-005 1.00000000E+035 /d1 50000 -1.932345219240754E-005 1.00000000E+035 /d2 300 -4.445535238926490E-010 1.00000000E+035 /HJ 1200 1.623145134033365E-008 1.00000000E+035 /HJK 2100 -5.322242944552232E-007 1.00000000E+035 /HKJ 3000 1.000000000000000E-025 1.00000000E-035 /HK 40200 2.533423129664922E-010 1.00000000E+035 /h1 50100 -1.571696808687732E-010 1.00000000E+035 /h2 60000 4.165615678547923E-011 1.00000000E+035 /h3 3100 1.191000334130723E-010 1.00000000E+035 /LKJ 2200 -7.916822308180716E-012 1.00000000E+035 /LKKJ 110010000 -1.256898095711540E+002 1.00000000E-019 110040000 -1.110194840091330E+001 1.00000000E-019 110610000 7.421305450371280E+001 1.00000000E-019 0 7.218240000000000E+006 1.00000000E-019 /E_2v9 10011 1.211684604949641E+004 1.00000000E+035 /A 20011 2.771272344873065E+003 1.00000000E+035 /B 30011 2.251955040990371E+003 1.00000000E+035 /C 211 -4.825580411196551E-004 1.00000000E+035 /-DJ 1111 -4.858916775227600E-003 1.00000000E+035 /-DK 2011 3.098095212535140E-003 1.00000000E+035 /-DJK 40111 -1.058822702774498E-004 1.00000000E+035 /d1 50011 -1.607189420780129E-005 1.00000000E+035 /d2 311 2.428906635605674E-011 1.00000000E+035 /HJ 2111 5.130736341474107E-007 1.00000000E+035 /HJK 1211 -1.897075208876309E-008 1.00000000E+035 /HKJ 3011 -1.039595795819357E-005 1.00000000E+035 /HK 40211 -3.226201866129304E-010 1.00000000E+035 /h1 50111 1.964535080424317E-010 1.00000000E+035 /h2 60011 -2.387559195491626E-011 1.00000000E+035 /h3 2211 7.630269930606577E-012 1.00000000E+035 /LKJ 3111 -1.364396626942407E-010 1.00000000E+035 /LKKJ 110010011 -1.256898095711540E+002 1.00000000E-019 110040011 -1.110194840091330E+001 1.00000000E-019 110610011 7.421305450371280E+001 1.00000000E-019 11 7.722044291445716E+006 1.00000000E+035 /E_v7 40001 -3.443766842451418E-001 1.00000000E+035 /F+- 40101 -5.774225544061502E-006 1.00000000E+035 /F+-J 41001 1.210811023158364E-004 1.00000000E+035 /F+-K 41101 2.033023088946536E-008 1.00000000E+035 /F+-JK 610001 5.462224420789140E+000 1.00000000E+035 /Fab 610101 7.121347594221321E-005 1.00000000E+035 /FabJ 611001 -1.744979815460784E-003 1.00000000E+035 /FabK 620001 -1.420468430522637E-003 1.00000000E+035 /C3? ! !----------------------------------------------------------------------- ! original model ! ! RMS ERROR= 0.65706 0.65706 ! ClONO2 35 v7 (1) 2v9 (0) 15:36Fri Mar 24 23:42:52 2006 49 12721 100 0 0.0000E+000 5.0000E+002 1.0000E+000 1.0000000000 's' 4 2 0 55 0 1 1 1 0 1 0 10011 1.211684604949641E+004 1.00000000E+035 20011 2.771272344873065E+003 1.00000000E+035 30011 2.251955040990371E+003 1.00000000E+035 211 -4.825580411196551E-004 1.00000000E+035 1111 -4.858916775227600E-003 1.00000000E+035 2011 3.098095212535140E-003 1.00000000E+035 40111 -1.058822702774498E-004 1.00000000E+035 50011 -1.607189420780129E-005 1.00000000E+035 311 2.428906635605674E-011 1.00000000E+035 2111 5.130736341474107E-007 1.00000000E+035 1211 -1.897075208876309E-008 1.00000000E+035 3011 -1.039595795819357E-005 1.00000000E+035 40211 -3.226201866129304E-010 1.00000000E+035 50111 1.964535080424317E-010 1.00000000E+035 60011 -2.387559195491626E-011 1.00000000E+035 2211 7.630269930606577E-012 1.00000000E+035 3111 -1.364396626942407E-010 1.00000000E+035 11 7.722044291445716E+006 1.00000000E+035 110010011 -1.256898095711540E+002 1.00000000E-019 110040011 -1.110194840091330E+001 1.00000000E-019 110610011 7.421305450371280E+001 1.00000000E-019 10000 1.193293081077546E+004 1.00000000E+035 20000 2.776261145757179E+003 1.00000000E+035 30000 2.264611435613139E+003 1.00000000E+035 200 -5.326484950069070E-004 1.00000000E+035 1100 -2.914593519934983E-003 1.00000000E+035 2000 -1.815796404241949E-002 1.00000000E+035 40100 -8.593751283744031E-005 1.00000000E+035 50000 -1.932345219240754E-005 1.00000000E+035 300 -4.445535238926490E-010 1.00000000E+035 1200 1.623145134033365E-008 1.00000000E+035 2100 -5.322242944552232E-007 1.00000000E+035 40200 2.533423129664922E-010 1.00000000E+035 50100 -1.571696808687732E-010 1.00000000E+035 60000 4.165615678547923E-011 1.00000000E+035 3100 1.191000334130723E-010 1.00000000E+035 2200 -7.916822308180716E-012 1.00000000E+035 0 7.218240000000000E+006 1.00000000E-019 110010000 -1.256898095711540E+002 1.00000000E-019 110040000 -1.110194840091330E+001 1.00000000E-019 110610000 7.421305450371280E+001 1.00000000E-019 40001 -3.443766842451418E-001 1.00000000E+035 41001 1.210811023158364E-004 1.00000000E+035 40101 -5.774225544061502E-006 1.00000000E+035 41101 2.033023088946536E-008 1.00000000E+035 610001 5.462224420789140E+000 1.00000000E+035 620001 -1.420468430522637E-003 1.00000000E+035 611001 -1.744979815460784E-003 1.00000000E+035 610101 7.121347594221321E-005 1.00000000E+035 ! !----------------------------------------------------------------------- !