c-Propil cianuro -- specie normale Wed Jan 02 10:40:44 2008 22 912 3 2 0.0000E+000 1.0000E+005 1.0000E+000 1.0000000000 a 3 1 , , , 0 1 1 1 0 -1 0 10000 1.578609713717312E+004 1.00000000E+030 /A 20000 3.465116184695376E+003 1.00000000E+030 /B 30000 3.286250042232127E+003 1.00000000E+030 /C 200 -1.151380056584773E-003 1.00000000E+030 /-DJ 1100 -4.831116478110936E-004 1.00000000E+030 /-DJK 2000 -3.914828097959457E-002 1.00000000E+030 /-DK 40100 4.372145494723883E-005 1.00000000E+030 /d1 50000 -3.283474292581389E-006 1.00000000E+030 /d2 300 2.000238887744394E-009 1.00000000E+030 /HJ 1200 -8.595608440676238E-009 1.00000000E+030 /HJK 2100 1.134205897547049E-007 1.00000000E+030 /HKJ 3000 4.788870372598336E-008 1.00000000E+030 /HK 40200 -2.751230790786071E-010 1.00000000E+030 /h1 50100 -1.023686653903561E-011 1.00000000E+030 /h2 60000 1.337425128467371E-012 1.00000000E+030 /h3 400 -5.124807895740718E-015 1.00000000E+030 /LJ 1300 5.147804375096976E-014 1.00000000E+030 /LJJK 2200 -6.635642355999781E-013 1.00000000E+030 /LJK 3100 -1.777400849559046E-012 1.00000000E+030 /LKKJ 40300 9.531581430251509E-016 1.00000000E+030 /l1 110010000 -5.189638843014194E+000 1.00000000E+010 /1.5*Xaa 110040000 7.882973063947330E-003 1.00000000E+010 /(Xb-Xc)/4 ! !-------------------------------------------------------------------------------- ! Reduction-A for consistency with the ms ! ! RMS ERROR= 0.58267 0.58267 ! c-Propil cianuro -- specie normale Wed Jan 02 10:40:44 2008 22 912 3 2 0.0000E+000 1.0000E+005 1.0000E+000 1.0000000000 a 3 1 , , , 0 1 1 1 0 -1 0 10000 1.578609713717312E+004 1.00000000E+030 /A 20000 3.465116184695376E+003 1.00000000E+030 /B 30000 3.286250042232127E+003 1.00000000E+030 /C 200 -1.151380056584773E-003 1.00000000E+030 /-DJ 1100 -4.831116478110936E-004 1.00000000E+030 /-DJK 2000 -3.914828097959457E-002 1.00000000E+030 /-DK 40100 4.372145494723883E-005 1.00000000E+030 /d1 50000 -3.283474292581389E-006 1.00000000E+030 /d2 300 2.000238887744394E-009 1.00000000E+030 /HJ 1200 -8.595608440676238E-009 1.00000000E+030 /HJK 2100 1.134205897547049E-007 1.00000000E+030 /HKJ 3000 4.788870372598336E-008 1.00000000E+030 /HK 40200 -2.751230790786071E-010 1.00000000E+030 /h1 50100 -1.023686653903561E-011 1.00000000E+030 /h2 60000 1.337425128467371E-012 1.00000000E+030 /h3 400 -5.124807895740718E-015 1.00000000E+030 /LJ 1300 5.147804375096976E-014 1.00000000E+030 /LJJK 2200 -6.635642355999781E-013 1.00000000E+030 /LJK 3100 -1.777400849559046E-012 1.00000000E+030 /LKKJ 40300 9.531581430251509E-016 1.00000000E+030 /l1 110010000 -5.189638843014194E+000 1.00000000E+010 /1.5*Xaa 110040000 7.882973063947330E-003 1.00000000E+010 /(Xb-Xc)/4 ! !-------------------------------------------------------------------------------- ! reduction-A as sent to CDEsposti in April 2007 ! ! RMS ERROR= 0.58078 0.58078 ! c-Propil cianuro -- specie normale Wed Apr 04 15:04:02 2007 22 912 3 2 0.0000E+000 1.0000E+005 1.0000E+000 1.0000000000 a 3 1 , , , 0 1 1 1 0 -1 0 10000 1.578609701472891E+004 1.00000000E+000 /A 20000 3.465119833728627E+003 1.00000000E+000 /B 30000 3.286246403234388E+003 1.00000000E+000 /C 200 -1.157942717933285E-003 1.00000000E+000 /-DJ 1100 -4.436355679325717E-004 1.00000000E+000 /-DJK 2000 -3.918083954391845E-002 1.00000000E+000 /-DK 40100 4.372685729773301E-005 1.00000000E+000 /-dJ 41000 -1.823968509970106E-003 1.00000000E+000 /-dK 300 1.979081172278363E-009 1.00000000E+000 /HJ 1200 -5.615405634858324E-009 1.00000000E+000 /HJK 2100 1.036370245175989E-007 1.00000000E+000 /HKJ 3000 5.420673346821820E-008 1.00000000E+000 /HK 40200 -2.740242513044941E-010 1.00000000E+000 /hJ 41100 -3.947422128489093E-009 1.00000000E+000 /hJK 42000 2.404434233576938E-007 1.00000000E+000 /hK 400 -5.089478603598908E-015 1.00000000E+000 /LJ 1300 5.559761329029455E-014 1.00000000E+000 /LJJK 2200 -7.923197728484555E-013 1.00000000E+000 /LJK 3100 -1.380888671894852E-012 1.00000000E+000 /LKKJ 40300 9.653750009260821E-016 1.00000000E+000 /lJ 110010000 -5.189674406663224E+000 1.00000000E+000 /1.5*Xaa 110040000 7.887813897764497E-003 1.00000000E+000 /(Xb-Xc)/4 ! !--------------------------------------------------------------------------------