37:Cl 2,2 Dcp, triad 0=(v_26=1), 1=(v_8=1), 2=(v_21=1) Wed Jun 01 18:00:14 2011 51 699 10 0 0.0000E+000 5.0000E+000 1.0000E+000 1.0000000000 a 1 3 0, 50 , , , , , , ,,,,, 10000 3.639616657479339E+003 1.00000000E+020 /A 20000 2.410316488048278E+003 1.00000000E+020 /B 30000 2.116898182095299E+003 1.00000000E+020 /C 200 -4.148927758166846E-004 1.00000000E+000 /-DJ 1100 3.751248299827172E-004 1.00000000E+000 /-DJK 2000 -1.153451530654875E-003 1.00000000E+000 /-DK 40100 -7.827166293205601E-005 1.00000000E+000 /-dJ 41000 -1.681217415109913E-004 1.00000000E+000 /-dK 300 9.800000000000001E-011 1.00000000E-035 /HJ 1200 2.523000000000001E-010 1.00000000E-035 /HJK 2100 -1.384000000000000E-009 1.00000000E-035 /HKJ 3000 1.846000000000000E-009 1.00000000E-035 /HK 40200 4.040000000000000E-011 1.00000000E-035 /hJ 10011 3.637686792990749E+003 1.00000000E+020 /A 20011 2.411191536260630E+003 1.00000000E+020 /B 30011 2.115627308451993E+003 1.00000000E+020 /C 211 -3.863412938496753E-004 1.00000000E+000 /-DJ 1111 1.853400000000000E-004 1.00000000E-034 /-DJK 2011 -8.314000000000000E-004 1.00000000E-035 /-DK 40111 -7.615770912329053E-005 1.00000000E+000 /-dJ 41011 1.894648458467954E-005 1.00000000E+000 /-dK 311 9.800000000000001E-011 1.00000000E-035 /HJ 1211 2.523000000000001E-010 1.00000000E-035 /HJK 2111 -1.384000000000000E-009 1.00000000E-035 /HKJ 3011 1.846000000000000E-009 1.00000000E-035 /HK 40211 4.040000000000000E-011 1.00000000E-035 /hJ 10022 3.643094599727413E+003 1.00000000E+020 /A 20022 2.409278070818209E+003 1.00000000E+020 /B 30022 2.114556978072749E+003 1.00000000E+020 /C 222 -4.046656653354128E-004 1.00000000E+020 /-DJ 1122 9.474462582546994E-005 1.00000000E+001 /-DJK 2022 -7.681238484748479E-004 1.00000000E+000 /-DK 40122 -8.117685859009721E-005 1.00000000E+020 /-dJ 41022 -2.213004195178568E-004 1.00000000E+000 /-dK 322 9.800000000000001E-011 1.00000000E-035 /HJ 1222 2.523000000000001E-010 1.00000000E-035 /HJK 2122 -1.384000000000000E-009 1.00000000E-035 /HKJ 3022 1.846000000000000E-009 1.00000000E-035 /HK 40222 4.040000000000000E-011 1.00000000E-035 /hJ 11 1.598704709892671E+005 5.00000000E+010 /E_vbx 600001 -5.107848225459424E+002 1.00000000E+005 /iGc 600101 0.000000000000000E+000 1.00000000E-035 /iGcJ 601001 6.355074652229236E-003 1.00000000E+000 /iGcK 600101 0.000000000000000E+000 1.00000000E-037 /iGcJJ 601101 1.065176845693362E-007 1.00000000E+000 /iGcJK 602001 0.000000000000000E+000 1.00000000E-037 /iGcKK 610001 -5.228458861110643E+000 1.00000000E+000 /iFab 611001 0.000000000000000E+000 1.00000000E-037 /iFabK 22 9.320000000000000E+005 1.00000000E-037 /E_va 200012 3.596000000000000E+003 1.00000000E-037 /iGa 400002 -1.536000000000000E+003 1.00000000E-035 /iGb ! !------------------------------------------------------------------------------ ! Final with corrected h constans ! MICROWAVE RMS = 0.066364 MHz ! RMS ERROR= 1.32728 ! 37:Cl 2,2 Dichloropropane 0=vb 1=vbx 2=va Tue May 31 12:47:07 2011 51 699 10 0 0.0000E+000 5.0000E+000 1.0000E+000 1.0000000000 a 1 3 0, 50 , , , , , , ,,,,, 10000 3.639616657479339E+003 1.00000000E+020 /A 20000 2.410316488048278E+003 1.00000000E+020 /B 30000 2.116898182095299E+003 1.00000000E+020 /C 200 -4.148927758166846E-004 1.00000000E+000 /-DJ 1100 3.751248299827172E-004 1.00000000E+000 /-DJK 2000 -1.153451530654875E-003 1.00000000E+000 /-DK 40100 -7.827166293205601E-005 1.00000000E+000 /-dJ 41000 -1.681217415109913E-004 1.00000000E+000 /-dK 300 9.800000000000001E-011 1.00000000E-035 /HJ 1200 2.523000000000001E-010 1.00000000E-035 /HJK 2100 -1.384000000000000E-009 1.00000000E-035 /HKJ 3000 1.846000000000000E-009 1.00000000E-035 /HK 40200 4.040000000000000E-011 1.00000000E-035 /hJ 10011 3.637686792990749E+003 1.00000000E+020 /A 20011 2.411191536260630E+003 1.00000000E+020 /B 30011 2.115627308451993E+003 1.00000000E+020 /C 211 -3.863412938496753E-004 1.00000000E+000 /-DJ 1111 1.853400000000000E-004 1.00000000E-034 /-DJK 2011 -8.314000000000000E-004 1.00000000E-035 /-DK 40111 -7.615770912329053E-005 1.00000000E+000 /-dJ 41011 1.894648458467954E-005 1.00000000E+000 /-dK 311 9.800000000000001E-011 1.00000000E-035 /HJ 1211 2.523000000000001E-010 1.00000000E-035 /HJK 2111 -1.384000000000000E-009 1.00000000E-035 /HKJ 3011 1.846000000000000E-009 1.00000000E-035 /HK 40211 4.040000000000000E-011 1.00000000E-035 /hJ 10022 3.643094599727413E+003 1.00000000E+020 /A 20022 2.409278070818209E+003 1.00000000E+020 /B 30022 2.114556978072749E+003 1.00000000E+020 /C 222 -4.046656653354128E-004 1.00000000E+020 /-DJ 1122 9.474462582546994E-005 1.00000000E+001 /-DJK 2022 -7.681238484748479E-004 1.00000000E+000 /-DK 40122 -8.117685859009721E-005 1.00000000E+020 /-dJ 41022 -2.213004195178568E-004 1.00000000E+000 /-dK 322 9.800000000000001E-011 1.00000000E-035 /HJ 1222 2.523000000000001E-010 1.00000000E-035 /HJK 2122 -1.384000000000000E-009 1.00000000E-035 /HKJ 3022 1.846000000000000E-009 1.00000000E-035 /HK 40222 4.040000000000000E-011 1.00000000E-035 /hJ 11 1.598704709892671E+005 5.00000000E+010 /E_vbx 600001 -5.107848225459424E+002 1.00000000E+005 /iGc 600101 0.000000000000000E+000 1.00000000E-035 /iGcJ 601001 6.355074652229236E-003 1.00000000E+000 /iGcK 600101 0.000000000000000E+000 1.00000000E-037 /iGcJJ 601101 1.065176845693362E-007 1.00000000E+000 /iGcJK 602001 0.000000000000000E+000 1.00000000E-037 /iGcKK 610001 -5.228458861110643E+000 1.00000000E+000 /iFab 611001 0.000000000000000E+000 1.00000000E-037 /iFabK 22 9.320000000000000E+005 1.00000000E-037 /E_va 200012 3.596000000000000E+003 1.00000000E-037 /iGa 400002 -1.536000000000000E+003 1.00000000E-035 /iGb ! !------------------------------------------------------------------------------