37ClONO2 (v6=1,v9=1) [0] <-> v5=1 [1] 553 cm-1 Mon Nov 27 10:36:27 2006 52 1079 20 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.201693567590355E+004 1.00000000E+002 /A 20000 2.691669206671654E+003 1.00000000E+001 /B 30000 2.203885624872232E+003 1.00000000E+001 /C 200 -5.270206768891871E-004 1.00000000E+000 /-DJ 1100 -3.559947962386767E-003 1.00000000E+000 /-DJK 2000 -8.938622060639110E-003 1.00000000E+000 /-DK 40100 -9.032950045108741E-005 1.00000000E+000 /-dJ 41000 -2.435179533185134E-003 1.00000000E+000 /-dK 300 -1.421733186080192E-010 1.00000000E+000 /HJ 1200 -2.710000000000000E-009 1.00000000E-037 /HJK 2100 -2.438000000000000E-008 1.00000000E-037 /HKJ 3000 4.360000000000001E-008 1.00000000E-037 /HK 40200 -1.688000000000000E-011 1.00000000E-037 /hJ 41100 -1.419000000000000E-009 1.00000000E-037 /hJK 42000 5.210000000000002E-008 1.00000000E-037 /hK 2200 1.000000000000000E-025 1.00000000E-037 /LKJ 3100 1.000000000000000E-025 1.00000000E-037 /LKKJ 0 1.000000000000000E-025 1.00000000E-037 /E_v6v9 10011 1.205076001490063E+004 1.00000000E+002 /A 20011 2.693355710770370E+003 1.00000000E+001 /B 30011 2.197978104462952E+003 1.00000000E+001 /C 211 -5.200274845975089E-004 1.00000000E+000 /-DJ 1111 -3.492294905724088E-003 1.00000000E+000 /-DJK 2011 -9.567812200399253E-003 1.00000000E+000 /-DK 40111 -9.241580950378986E-005 1.00000000E+000 /-dJ 41011 -2.569186862560602E-003 1.00000000E+000 /-dK 311 -1.309991618786386E-010 1.00000000E+000 /HJ 1211 -2.710000000000000E-009 1.00000000E-037 /HJK 2111 -2.438000000000000E-008 1.00000000E-037 /HKJ 3011 4.360000000000001E-008 1.00000000E-037 /HK 40211 -1.688000000000000E-011 1.00000000E-037 /hJ 41111 -1.419000000000000E-009 1.00000000E-037 /hJK 42011 5.210000000000002E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-037 /LKJ 3111 1.000000000000000E-025 1.00000000E-037 /LKKJ 11 1.602099814517899E+005 1.00000000E+005 /E_v5 200001 1.680514514578572E+003 1.00000000E+003 /Ga 200101 -2.359834598714070E-003 1.00000000E+000 /GaJ 201001 1.995942652756060E-002 1.00000000E+000 /GaK 200201 1.000000000000000E-025 1.00000000E-037 /GaJJ 201101 1.000000000000000E-025 1.00000000E-037 /GaJK 202001 1.000000000000000E-025 1.00000000E-037 /GaKK 203001 1.000000000000000E-025 1.00000000E-037 /GaKKK 210001 1.000000000000000E-025 1.00000000E-037 /Fbc 400001 3.966373234024965E+002 1.00000000E+004 /Gb 400101 5.376946598269992E-005 1.00000000E+000 /GbJ 401001 1.000000000000000E-025 1.00000000E-037 /GbK 400201 1.000000000000000E-025 1.00000000E-037 /GbJJ 401101 1.000000000000000E-025 1.00000000E-037 /GbJK 402001 1.000000000000000E-025 1.00000000E-037 /GbKK 403001 1.000000000000000E-025 1.00000000E-037 /GbKKK 410001 1.000000000000000E-025 1.00000000E-037 /Fac ! !----------------------------------------------------------------------- ! Final fits !----------------------------------------------------------------------- ! A-reduction ! ! 3 rejected ! RMS ERROR= 0.66807 0.66807 ! ! 37ClONO2 (v6=1,v9=1) [0] <-> v5=1 [1] 553 cm-1 Mon Nov 27 10:36:27 2006 52 1079 20 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 'a' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.201693567590355E+004 1.00000000E+002 /A 20000 2.691669206671654E+003 1.00000000E+001 /B 30000 2.203885624872232E+003 1.00000000E+001 /C 200 -5.270206768891871E-004 1.00000000E+000 /-DJ 1100 -3.559947962386767E-003 1.00000000E+000 /-DJK 2000 -8.938622060639110E-003 1.00000000E+000 /-DK 40100 -9.032950045108741E-005 1.00000000E+000 /-dJ 41000 -2.435179533185134E-003 1.00000000E+000 /-dK 300 -1.421733186080192E-010 1.00000000E+000 /HJ 1200 -2.710000000000000E-009 1.00000000E-037 /HJK 2100 -2.438000000000000E-008 1.00000000E-037 /HKJ 3000 4.360000000000001E-008 1.00000000E-037 /HK 40200 -1.688000000000000E-011 1.00000000E-037 /hJ 41100 -1.419000000000000E-009 1.00000000E-037 /hJK 42000 5.210000000000002E-008 1.00000000E-037 /hK 2200 1.000000000000000E-025 1.00000000E-037 /LKJ 3100 1.000000000000000E-025 1.00000000E-037 /LKKJ 0 1.000000000000000E-025 1.00000000E-037 /E_v6v9 10011 1.205076001490063E+004 1.00000000E+002 /A 20011 2.693355710770370E+003 1.00000000E+001 /B 30011 2.197978104462952E+003 1.00000000E+001 /C 211 -5.200274845975089E-004 1.00000000E+000 /-DJ 1111 -3.492294905724088E-003 1.00000000E+000 /-DJK 2011 -9.567812200399253E-003 1.00000000E+000 /-DK 40111 -9.241580950378986E-005 1.00000000E+000 /-dJ 41011 -2.569186862560602E-003 1.00000000E+000 /-dK 311 -1.309991618786386E-010 1.00000000E+000 /HJ 1211 -2.710000000000000E-009 1.00000000E-037 /HJK 2111 -2.438000000000000E-008 1.00000000E-037 /HKJ 3011 4.360000000000001E-008 1.00000000E-037 /HK 40211 -1.688000000000000E-011 1.00000000E-037 /hJ 41111 -1.419000000000000E-009 1.00000000E-037 /hJK 42011 5.210000000000002E-008 1.00000000E-037 /hK 2211 1.000000000000000E-025 1.00000000E-037 /LKJ 3111 1.000000000000000E-025 1.00000000E-037 /LKKJ 11 1.602099814517899E+005 1.00000000E+005 /E_v5 200001 1.680514514578572E+003 1.00000000E+003 /Ga 200101 -2.359834598714070E-003 1.00000000E+000 /GaJ 201001 1.995942652756060E-002 1.00000000E+000 /GaK 200201 1.000000000000000E-025 1.00000000E-037 /GaJJ 201101 1.000000000000000E-025 1.00000000E-037 /GaJK 202001 1.000000000000000E-025 1.00000000E-037 /GaKK 203001 1.000000000000000E-025 1.00000000E-037 /GaKKK 210001 1.000000000000000E-025 1.00000000E-037 /Fbc 400001 3.966373234024965E+002 1.00000000E+004 /Gb 400101 5.376946598269992E-005 1.00000000E+000 /GbJ 401001 1.000000000000000E-025 1.00000000E-037 /GbK 400201 1.000000000000000E-025 1.00000000E-037 /GbJJ 401101 1.000000000000000E-025 1.00000000E-037 /GbJK 402001 1.000000000000000E-025 1.00000000E-037 /GbKK 403001 1.000000000000000E-025 1.00000000E-037 /GbKKK 410001 1.000000000000000E-025 1.00000000E-037 /Fac ! !----------------------------------------------------------------------- ! S-reduction ! ! 3 rejected ! RMS ERROR= 0.66755 0.66755 ! ! 37ClONO2 (v6=1,v9=1) [0] <-> v5=1 [1] 553 cm-1 Mon Nov 27 10:50:52 2006 52 1079 20 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 's' 1 2 , , , , 1 , 4 , 4 , , , 3 10000 1.201692123844652E+004 1.00000000E+002 /A 20000 2.691664266861189E+003 1.00000000E+001 /B 30000 2.203890517921476E+003 1.00000000E+001 /C 200 -4.959781757727178E-004 1.00000000E+000 /-DJ 1100 -3.743795956980597E-003 1.00000000E+000 /-DJK 2000 -8.795545711295930E-003 1.00000000E+000 /-DK 40100 -9.029836636385392E-005 1.00000000E+000 /d1 50000 -1.549725024295176E-005 1.00000000E+000 /d2 300 -1.346370554351096E-010 1.00000000E+000 /HJ 1200 -5.504000000000002E-009 1.00000000E-037 /HJK 2100 -1.488000000000000E-008 1.00000000E-037 /HKJ 3000 3.670000000000000E-008 1.00000000E-037 /HK 40200 -2.142000000000000E-011 1.00000000E-037 /h1 50100 -2.970000000000001E-012 1.00000000E-037 /h2 60000 4.570000000000000E-012 1.00000000E-037 /h3 2200 1.000000000000000E-025 1.00000000E-037 /LKJ 3100 1.000000000000000E-025 1.00000000E-037 /LKKJ 0 1.000000000000000E-025 1.00000000E-037 /E_v6v9 10011 1.205076401013566E+004 1.00000000E+002 /A 20011 2.693350224956102E+003 1.00000000E+001 /B 30011 2.197983288153555E+003 1.00000000E+001 /C 211 -4.869415356290010E-004 1.00000000E+000 /-DJ 1111 -3.691920788862873E-003 1.00000000E+000 /-DJK 2011 -9.305708303685394E-003 1.00000000E+000 /-DK 40111 -9.243196706123849E-005 1.00000000E+000 /d1 50011 -1.656069716891104E-005 1.00000000E+000 /d2 311 -1.252194307809795E-010 1.00000000E+000 /HJ 1211 -5.504000000000002E-009 1.00000000E-037 /HJK 2111 -1.488000000000000E-008 1.00000000E-037 /HKJ 3011 3.670000000000000E-008 1.00000000E-037 /HK 40211 -2.142000000000000E-011 1.00000000E-037 /h1 50111 -2.970000000000001E-012 1.00000000E-037 /h2 60011 4.570000000000000E-012 1.00000000E-037 /h3 2211 1.000000000000000E-025 1.00000000E-037 /LKJ 3111 1.000000000000000E-025 1.00000000E-037 /LKKJ 11 1.602098482481740E+005 1.00000000E+005 /E_v5 200001 1.680256498103179E+003 1.00000000E+003 /Ga 200101 -2.231711322479114E-003 1.00000000E+000 /GaJ 201001 1.277137153012084E-002 1.00000000E+000 /GaK 200201 1.000000000000000E-025 1.00000000E-037 /GaJJ 201101 1.000000000000000E-025 1.00000000E-037 /GaJK 202001 1.000000000000000E-025 1.00000000E-037 /GaKK 203001 1.000000000000000E-025 1.00000000E-037 /GaKKK 210001 1.000000000000000E-025 1.00000000E-037 /Fbc 400001 3.966464760852388E+002 1.00000000E+004 /Gb 400101 8.152099028034212E-005 1.00000000E+000 /GbJ 401001 1.000000000000000E-025 1.00000000E-037 /GbK 400201 1.000000000000000E-025 1.00000000E-037 /GbJJ 401101 1.000000000000000E-025 1.00000000E-037 /GbJK 402001 1.000000000000000E-025 1.00000000E-037 /GbKK 403001 1.000000000000000E-025 1.00000000E-037 /GbKKK 410001 1.000000000000000E-025 1.00000000E-037 /Fac ! !----------------------------------------------------------------------- !-----------------------------------------------------------------------