37ClONO2 ground state Fri Jul 14 18:52:05 2006 33 3419 10 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 's' 4 2 , , , , 1 , 1 , 1 , -1 , , 's' 1 1 , , , , 1 , 4 , 4 , , , 10000 1.210532501526247E+004 1.00000000E+037 /A -10011 1.210532501526247E+004 1.00000000E-037 20000 2.700973934246419E+003 1.00000000E+037 /B -20011 2.700973934246419E+003 1.00000000E-037 30000 2.207604554857284E+003 1.00000000E+037 /C -30011 2.207604554857284E+003 1.00000000E-037 200 -4.810004240489763E-004 1.00000000E+037 /-DJ -211 -4.810004240489763E-004 1.00000000E-037 1100 -3.715620981007147E-003 1.00000000E+037 /-DJK -1111 -3.715620981007147E-003 1.00000000E-037 2000 -9.641943790291542E-003 1.00000000E+037 /-DK -2011 -9.641943790291542E-003 1.00000000E-037 40100 -8.966175611648234E-005 1.00000000E+037 /d1 -40111 -8.966175611648234E-005 1.00000000E-037 50000 -1.619241185985163E-005 1.00000000E+037 /d2 -50011 -1.619241185985163E-005 1.00000000E-037 300 -1.248295422822922E-010 1.00000000E+037 /HJ -311 -1.248295422822922E-010 1.00000000E-037 1200 -5.504283605932723E-009 1.00000000E+037 /HJK -1211 -5.504283605932723E-009 1.00000000E-037 2100 -1.488860474731619E-008 1.00000000E+037 /HKJ -2111 -1.488860474731619E-008 1.00000000E-037 3000 3.667038865642880E-008 1.00000000E+037 /HK -3011 3.667038865642880E-008 1.00000000E-037 40200 -2.141661252459279E-011 1.00000000E+037 /h1 -40211 -2.141661252459279E-011 1.00000000E-037 50100 -2.968936840723659E-012 1.00000000E+037 /h2 -50111 -2.968936840723659E-012 1.00000000E-037 60000 4.567905314879395E-012 1.00000000E+037 /h3 -60011 4.567905314879395E-012 1.00000000E-037 110010000 -9.912079163887935E+001 1.00000000E+037 /3chia/2 110040000 -8.699391945921223E+000 1.00000000E+037 /chi(b-c)/4 110610000 5.853887274356975E+001 1.00000000E+037 /chiab ! ! !-------------------------------------------------------------------------------- ! ! A-reduction: final fit with FASSST lines ! ! RMS ERROR= 0.52866 0.52866 ! 37ClONO2 ground state Fri Jul 14 18:14:53 2006 33 3419 10 0 0.0000E+000 5.0000E+003 1.0000E+000 1.0000000000 'a' 4 2 , , , , 1 , 1 , 1 , -1 , , 'a' 1 1 , , , , 1 , 4 , 4 , , , 10000 1.210532468610478E+004 1.00000000E+037 /A -10011 1.210532468610478E+004 1.00000000E-037 20000 2.700979047349261E+003 1.00000000E+037 /B -20011 2.700979047349261E+003 1.00000000E-037 30000 2.207599536049900E+003 1.00000000E+037 /C -30011 2.207599536049900E+003 1.00000000E-037 200 -5.133800740806723E-004 1.00000000E+037 /-DJ -211 -5.133800740806723E-004 1.00000000E-037 1100 -3.521101019656739E-003 1.00000000E+037 /-DJK -1111 -3.521101019656739E-003 1.00000000E-037 2000 -9.804020047130194E-003 1.00000000E+037 /-DK -2011 -9.804020047130194E-003 1.00000000E-037 40100 -8.966003970150076E-005 1.00000000E+037 /-dJ -40111 -8.966003970150076E-005 1.00000000E-037 41000 -2.534219860028377E-003 1.00000000E+037 /-dK -41011 -2.534219860028377E-003 1.00000000E-037 300 -1.309709041143521E-010 1.00000000E+037 /HJ -311 -1.309709041143521E-010 1.00000000E-037 1200 -2.718733150168048E-009 1.00000000E+037 /HJK -1211 -2.718733150168048E-009 1.00000000E-037 2100 -2.437903379968664E-008 1.00000000E+037 /HKJ -2111 -2.437903379968664E-008 1.00000000E-037 3000 4.357259356474417E-008 1.00000000E+037 /HK -3011 4.357259356474417E-008 1.00000000E-037 40200 -1.687935382145539E-011 1.00000000E+037 /hJ -40211 -1.687935382145539E-011 1.00000000E-037 41100 -1.419473636588028E-009 1.00000000E+037 /hJK -41111 -1.419473636588028E-009 1.00000000E-037 42000 5.207957101634283E-008 1.00000000E+037 /hK -42011 5.207957101634283E-008 1.00000000E-037 110010000 -9.911912804217465E+001 1.00000000E+037 /3chia/2 110040000 -8.700504521013263E+000 1.00000000E+037 /chi(b-c)/4 110610000 5.854390797127459E+001 1.00000000E+037 /chiab ! !-------------------------------------------------------------------------------- ! ! S-reduction: Final fit with FASSST lines ! ! RMS ERROR= 0.52743 0.52743 ! 37ClONO2 ground state Fri Jul 14 18:52:05 2006 33 3419 10 0 0.0000E+000 5.0000E+001 1.0000E+000 1.0000000000 's' 4 2 , , , , 1 , 1 , 1 , -1 , , 's' 1 1 , , , , 1 , 4 , 4 , , , 10000 1.210532501526247E+004 1.00000000E+037 /A -10011 1.210532501526247E+004 1.00000000E-037 20000 2.700973934246419E+003 1.00000000E+037 /B -20011 2.700973934246419E+003 1.00000000E-037 30000 2.207604554857284E+003 1.00000000E+037 /C -30011 2.207604554857284E+003 1.00000000E-037 200 -4.810004240489763E-004 1.00000000E+037 /-DJ -211 -4.810004240489763E-004 1.00000000E-037 1100 -3.715620981007147E-003 1.00000000E+037 /-DJK -1111 -3.715620981007147E-003 1.00000000E-037 2000 -9.641943790291542E-003 1.00000000E+037 /-DK -2011 -9.641943790291542E-003 1.00000000E-037 40100 -8.966175611648234E-005 1.00000000E+037 /d1 -40111 -8.966175611648234E-005 1.00000000E-037 50000 -1.619241185985163E-005 1.00000000E+037 /d2 -50011 -1.619241185985163E-005 1.00000000E-037 300 -1.248295422822922E-010 1.00000000E+037 /HJ -311 -1.248295422822922E-010 1.00000000E-037 1200 -5.504283605932723E-009 1.00000000E+037 /HJK -1211 -5.504283605932723E-009 1.00000000E-037 2100 -1.488860474731619E-008 1.00000000E+037 /HKJ -2111 -1.488860474731619E-008 1.00000000E-037 3000 3.667038865642880E-008 1.00000000E+037 /HK -3011 3.667038865642880E-008 1.00000000E-037 40200 -2.141661252459279E-011 1.00000000E+037 /h1 -40211 -2.141661252459279E-011 1.00000000E-037 50100 -2.968936840723659E-012 1.00000000E+037 /h2 -50111 -2.968936840723659E-012 1.00000000E-037 60000 4.567905314879395E-012 1.00000000E+037 /h3 -60011 4.567905314879395E-012 1.00000000E-037 110010000 -9.912079163887935E+001 1.00000000E+037 /3chia/2 110040000 -8.699391945921223E+000 1.00000000E+037 /chi(b-c)/4 110610000 5.853887274356975E+001 1.00000000E+037 /chiab ! !--------------------------------------------------------------------------------