GA: 1=v14v21 (bottom) 2=4v21 (middle) 0=v20v21 (top) Fri Aug 24 14:49:26 2018 83 3311 15 0 0.0000E+000 6.0000E+001 -1.0000E+000 1.0000000000 a 1 3 0, , , , , , , ,0,,,, 10000 1.059959546535029E+004 1.00000000E+001 /A_v20v21 20000 4.019038628606291E+003 1.00000000E+000 /B 30000 2.987787969032402E+003 1.00000000E+000 /C 200 -8.331928075894914E-004 1.00000000E+000 /-DJ 1100 -3.062011738316235E-003 1.00000000E+000 /-DJK 2000 -3.994355805443869E-003 1.00000000E+000 /-DK 40100 -2.089068286866844E-004 1.00000000E+000 /-dJ 41000 -2.633571151227583E-003 1.00000000E+000 /-dK 300 1.173000388028978E-010 1.00000000E+000 /HJ 1200 -1.053275639442632E-008 1.00000000E+000 /HJK 2100 -4.038949430578846E-008 1.00000000E+000 /HKJJ 3000 1.123536739701153E-008 1.00000000E+000 /HK 40200 2.842000000000000E-011 1.00000000E-037 /hJ 41100 -2.450000000000000E-009 1.00000000E-037 /hJK 42000 1.511000000000000E-008 1.00000000E-037 /hK 0 1.853434944732167E+005 2.00000000E+005 /E_v20v21 10011 1.065213319965310E+004 1.00000000E+001 /A_v14v21 20011 4.045329037583850E+003 1.00000000E+000 /B 30011 2.991194287546505E+003 1.00000000E+000 /C 211 -8.316992516754429E-004 1.00000000E+000 /-DJ 1111 -3.891636433717028E-003 1.00000000E+000 /-DJK 2011 -6.093005245271657E-003 1.00000000E+000 /-DK 40111 -2.153303410570992E-004 1.00000000E+000 /-dJ 41011 -2.704826309345464E-003 1.00000000E+000 /-dK 311 2.134771965388291E-010 1.00000000E+000 /HJ 1211 -5.243738181667959E-009 1.00000000E+000 /HJK 2111 -9.979875186215669E-009 1.00000000E+000 /HKJ 3011 5.411855455985475E-008 1.00000000E+000 /HK 40211 2.842000000000000E-011 1.00000000E-037 /hJ 41111 -2.450000000000000E-009 1.00000000E-037 /hJK 42011 1.511000000000000E-008 1.00000000E-037 /hK 11 -5.879331909050000E+005 1.00000000E+004 /E_v14v21 200001 -1.792330492475064E+003 1.00000000E+003 /Ga 200101 6.626262175416713E-002 1.00000000E+000 /GaJ 201001 2.693630829035784E-001 1.00000000E+000 /GaK 210001 6.337046701001531E+000 1.00000000E+000 /Fbc 210101 -6.572678165695902E-005 1.00000000E+000 /FbcJ 211001 -9.249317996150489E-004 1.00000000E+000 /FbcK 400001 2.797185803944286E+003 1.00000000E+002 /Gb 400101 -2.148929561106752E-002 1.00000000E+000 /GbJ 401001 -8.663504861192653E-002 1.00000000E+000 /GbK 410001 7.901617888148011E+000 1.00000000E+000 /Fac 410101 8.211959426899220E-005 1.00000000E+000 /FacJ 411001 0.000000000000000E+000 1.00000000E-037 /FacK 10022 1.047079517752196E+004 1.00000000E+001 /A_4v21 20022 4.029861930396408E+003 1.00000000E+000 /B 30022 3.011364907310424E+003 1.00000000E+000 /C 222 -8.751625048065628E-004 1.00000000E+000 /-DJ 1122 -3.443008479290158E-003 1.00000000E+000 /-DJK 2022 -5.149563068481688E-003 1.00000000E+000 /-DK 40122 -2.067098401358499E-004 1.00000000E+000 /-dJ 41022 -2.092808142365489E-003 1.00000000E+000 /-dK 322 -1.161533570876845E-010 1.00000000E+000 /HJ 1222 -3.467523914104432E-009 1.00000000E+000 /HJK 2122 -3.125245729529387E-008 1.00000000E+000 /HKJ 3022 4.315000000000002E-008 1.00000000E-037 /HK 40222 2.840000000000000E-011 1.00000000E-037 /hJ 41122 -2.450000000000000E-009 1.00000000E-037 /hJK 42022 1.511000000000000E-008 1.00000000E-037 /hK 22 0.000000000000000E+000 1.00000000E-037 /E_4v21 600002 4.101353476332619E+002 1.00000000E+002 /Gc 600102 0.000000000000000E+000 1.00000000E-037 /GcJ 601002 -1.407630289507268E-002 1.00000000E+000 /GcK 610002 0.000000000000000E+000 1.00000000E-037 /Fab 610102 0.000000000000000E+000 1.00000000E-037 /FabJ 611002 0.000000000000000E+000 1.00000000E-037 /FabK 2 -2.315822379135015E+004 1.00000000E+003 /W 102 -2.755849797886171E+000 1.00000000E+001 /WJ 1002 2.813388079545683E+001 1.00000000E+001 /WK 1102 0.000000000000000E+000 1.00000000E-037 /WJK 202 0.000000000000000E+000 1.00000000E-037 /WJJ 2002 0.000000000000000E+000 1.00000000E-037 /WKK 40102 0.000000000000000E+000 1.00000000E-037 /W+-J 41002 0.000000000000000E+000 1.00000000E-037 /W+-K 40202 0.000000000000000E+000 1.00000000E-037 /W+-JJ 200012 -7.062984283818124E+002 1.00000000E+002 /Ga 200112 0.000000000000000E+000 1.00000000E-037 /GaJ 201012 0.000000000000000E+000 1.00000000E-037 /GaK 210012 6.398889242702379E-001 1.00000000E+001 /Fbc 400012 -6.394429614071943E+002 1.00000000E+002 /Gb 400112 0.000000000000000E+000 1.00000000E-037 /GbJ 401012 0.000000000000000E+000 1.00000000E-037 /GbK 410012 -3.038450681944705E+000 1.00000000E+001 /Fac ! ! !---------------------------------------------------------------------------- ! SOLUTION II ! ! resulting from dropping W+- terms, adding some Ga Gb cd terms for 01 coupling ! and fixed sextics closer to those for the lower triad ! ! RMS ERROR= 0.87618 0.87618 ! glycolic acid: 4nu21 triad Mon Mar 16 15:02:04 2015 82 3311 15 0 0.0000E+000 6.0000E+001 1.0000E+000 1.0000000000 a 1 3 0, , , , , , , ,0,,,, 10000 1.059959546535029E+004 1.00000000E+001 /A_xx1 20000 4.019038628606291E+003 1.00000000E+000 /B 30000 2.987787969032402E+003 1.00000000E+000 /C 200 -8.331928075894914E-004 1.00000000E+000 /-DJ 1100 -3.062011738316235E-003 1.00000000E+000 /-DJK 2000 -3.994355805443869E-003 1.00000000E+000 /-DK 40100 -2.089068286866844E-004 1.00000000E+000 /-dJ 41000 -2.633571151227583E-003 1.00000000E+000 /-dK 300 1.173000388028978E-010 1.00000000E+000 /HJ 1200 -1.053275639442632E-008 1.00000000E+000 /HJK 2100 -4.038949430578846E-008 1.00000000E+000 /HKJJ 3000 1.123536739701153E-008 1.00000000E+000 /HK 40200 2.842000000000000E-011 1.00000000E-037 /hJ 41100 -2.450000000000000E-009 1.00000000E-037 /hJK 42000 1.511000000000000E-008 1.00000000E-037 /hK 10011 1.065213319965310E+004 1.00000000E+001 /A_x1 20011 4.045329037583850E+003 1.00000000E+000 /B 30011 2.991194287546505E+003 1.00000000E+000 /C 211 -8.316992516754429E-004 1.00000000E+000 /-DJ 1111 -3.891636433717028E-003 1.00000000E+000 /-DJK 2011 -6.093005245271657E-003 1.00000000E+000 /-DK 40111 -2.153303410570992E-004 1.00000000E+000 /-dJ 41011 -2.704826309345464E-003 1.00000000E+000 /-dK 311 2.134771965388291E-010 1.00000000E+000 /HJ 1211 -5.243738181667955E-009 1.00000000E+000 /HJK 2111 -9.979875186215668E-009 1.00000000E+000 /HKJ 3011 5.411855455985472E-008 1.00000000E+000 /HK 40211 2.842000000000000E-011 1.00000000E-037 /hJ 41111 -2.450000000000000E-009 1.00000000E-037 /hJK 42011 1.511000000000000E-008 1.00000000E-037 /hK 11 -7.732766849049999E+005 1.00000000E+004 /E_x 200001 -1.792330492475064E+003 1.00000000E+003 /Ga 200101 6.626262175416713E-002 1.00000000E+000 /GaJ 201001 2.693630829035784E-001 1.00000000E+000 /GaK 210001 6.337046701001531E+000 1.00000000E+000 /Fbc 210101 -6.572678165695900E-005 1.00000000E+000 /FbcJ 211001 -9.249317996150482E-004 1.00000000E+000 /FbcK 400001 2.797185803944286E+003 1.00000000E+002 /Gb 400101 -2.148929561106752E-002 1.00000000E+000 /GbJ 401001 -8.663504861192653E-002 1.00000000E+000 /GbK 410001 7.901617888148011E+000 1.00000000E+000 /Fac 410101 8.211959426899220E-005 1.00000000E+000 /FacJ 411001 0.000000000000000E+000 1.00000000E-037 /FacK 10022 1.047079517752196E+004 1.00000000E+001 /A_4 20022 4.029861930396408E+003 1.00000000E+000 /B 30022 3.011364907310424E+003 1.00000000E+000 /C 222 -8.751625048065628E-004 1.00000000E+000 /-DJ 1122 -3.443008479290158E-003 1.00000000E+000 /-DJK 2022 -5.149563068481685E-003 1.00000000E+000 /-DK 40122 -2.067098401358499E-004 1.00000000E+000 /-dJ 41022 -2.092808142365489E-003 1.00000000E+000 /-dK 322 -1.161533570876845E-010 1.00000000E+000 /HJ 1222 -3.467523914104431E-009 1.00000000E+000 /HJK 2122 -3.125245729529387E-008 1.00000000E+000 /HKJ 3022 4.315000000000002E-008 1.00000000E-037 /HK 40222 2.840000000000000E-011 1.00000000E-037 /hJ 41122 -2.450000000000000E-009 1.00000000E-037 /hJK 42022 1.511000000000000E-008 1.00000000E-037 /hK 22 -1.853434944732167E+005 2.00000000E+005 /E_4nu21 600002 4.101353476332619E+002 1.00000000E+002 /Gc 600102 0.000000000000000E+000 1.00000000E-037 /GcJ 601002 -1.407630289507268E-002 1.00000000E+000 /GcK 610002 0.000000000000000E+000 1.00000000E-037 /Fab 610102 0.000000000000000E+000 1.00000000E-037 /FabJ 611002 0.000000000000000E+000 1.00000000E-037 /FabK 2 -2.315822379135015E+004 1.00000000E+003 /W 102 -2.755849797886171E+000 1.00000000E+001 /WJ 1002 2.813388079545683E+001 1.00000000E+001 /WK 1102 0.000000000000000E+000 1.00000000E-037 /WJK 202 0.000000000000000E+000 1.00000000E-037 /WJJ 2002 0.000000000000000E+000 1.00000000E-037 /WKK 40102 0.000000000000000E+000 1.00000000E-037 /W+-J 41002 0.000000000000000E+000 1.00000000E-037 /W+-K 40202 0.000000000000000E+000 1.00000000E-037 /W+-JJ 200012 -7.062984283818124E+002 1.00000000E+002 /Ga 200112 0.000000000000000E+000 1.00000000E-037 /GaJ 201012 0.000000000000000E+000 1.00000000E-037 /GaK 210012 6.398889242702374E-001 1.00000000E+001 /Fbc 400012 -6.394429614071943E+002 1.00000000E+002 /Gb 400112 0.000000000000000E+000 1.00000000E-037 /GbJ 401012 0.000000000000000E+000 1.00000000E-037 /GbK 410012 -3.038450681944705E+000 1.00000000E+001 /Fac ! !----------------------------------------------------------------------------