CH2CL2 v3=1 Fri Jun 14 14:53:19 2024 31 343 4 0 0.0000E+000 3.5000E+004 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0,,,,,,,,,,,,, 10000 3.203907383870012E+004 1.00000000E+000 / A 20000 3.305671402102862E+003 1.00000000E+000 / B 30000 3.034954045960255E+003 1.00000000E+000 / C 200 -1.273406517708194E-003 1.00000000E+000 /-DJ 1100 -3.977058165336334E-003 1.00000000E+000 /-DJK 2000 -4.513169736566527E-001 1.00000000E+000 /-DK 40100 -2.410001315905287E-004 1.00000000E+000 /-delJ 41000 -9.273691664139078E-003 1.00000000E+000 /-delK 300 4.109587212491295E-009 1.00000000E+000 /HJ 1200 1.295395854377009E-006 1.00000000E+000 /HJK 2100 -7.851808481522180E-005 1.00000000E+000 /HKJ 3000 0.000000000000000E+000 1.00000000E-037 /HK 40200 2.064920191256276E-009 1.00000000E+000 /hJ 41100 -0.000000000000000E+000 1.00000000E-037 /hJK 42000 7.600285332862827E-006 1.00000000E+000 /hK 400 -0.000000000000000E+000 1.00000000E-037 /LJ 1300 -0.000000000000000E+000 1.00000000E-037 /LJJK 2200 0.000000000000000E+000 1.00000000E-037 /LJK 3100 -1.346088565259218E-008 1.00000000E+000 /LKKJ 4000 0.000000000000000E+000 1.00000000E-037 /LK 40300 0.000000000000000E+000 1.00000000E-037 /lJ 41200 -0.000000000000000E+000 1.00000000E-037 /lJK 42100 -0.000000000000000E+000 1.00000000E-037 /lKJ 43000 0.000000000000000E+000 1.00000000E-037 /lK 5000 0.000000000000000E+000 1.00000000E-037 /PK 110010000 -6.281585335735635E+001 1.00000000E+000 /chi.aa*3/2 -220010000 -6.281585335735635E+001 1.00000000E-037 /chi.aa*3/2 110040000 -9.536262706036434E+000 1.00000000E+000 /chi(b-c)/4 -220040000 -9.536262706036434E+000 1.00000000E-037 /chi(b-c)/4 110610000 -5.139000000000000E+001 1.00000000E-037 /chi.ab -220610000 5.139000000000000E+001 1.00000000E-037 /chi.ab ! !------------------------------------------------------------------------------- ! Using final g.s. chi_ab ! ! RMS ERROR= 1.05740 1.05740 ! CH2CL2 v3=1 Fri Jun 14 14:53:19 2024 31 343 4 0 0.0000E+000 3.5000E+004 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0,,,,,,,,,,,,, 10000 3.203907383870012E+004 1.00000000E+000 / A 20000 3.305671402102862E+003 1.00000000E+000 / B 30000 3.034954045960255E+003 1.00000000E+000 / C 200 -1.273406517708194E-003 1.00000000E+000 /-DJ 1100 -3.977058165336334E-003 1.00000000E+000 /-DJK 2000 -4.513169736566527E-001 1.00000000E+000 /-DK 40100 -2.410001315905287E-004 1.00000000E+000 /-delJ 41000 -9.273691664139078E-003 1.00000000E+000 /-delK 300 4.109587212491295E-009 1.00000000E+000 /HJ 1200 1.295395854377009E-006 1.00000000E+000 /HJK 2100 -7.851808481522180E-005 1.00000000E+000 /HKJ 3000 0.000000000000000E+000 1.00000000E-037 /HK 40200 2.064920191256276E-009 1.00000000E+000 /hJ 41100 -0.000000000000000E+000 1.00000000E-037 /hJK 42000 7.600285332862827E-006 1.00000000E+000 /hK 400 -0.000000000000000E+000 1.00000000E-037 /LJ 1300 -0.000000000000000E+000 1.00000000E-037 /LJJK 2200 0.000000000000000E+000 1.00000000E-037 /LJK 3100 -1.346088565259218E-008 1.00000000E+000 /LKKJ 4000 0.000000000000000E+000 1.00000000E-037 /LK 40300 0.000000000000000E+000 1.00000000E-037 /lJ 41200 -0.000000000000000E+000 1.00000000E-037 /lJK 42100 -0.000000000000000E+000 1.00000000E-037 /lKJ 43000 0.000000000000000E+000 1.00000000E-037 /lK 5000 0.000000000000000E+000 1.00000000E-037 /PK 110010000 -6.281585335735635E+001 1.00000000E+000 /chi.aa*3/2 -220010000 -6.281585335735635E+001 1.00000000E-037 /chi.aa*3/2 110040000 -9.536262706036434E+000 1.00000000E+000 /chi(b-c)/4 -220040000 -9.536262706036434E+000 1.00000000E-037 /chi(b-c)/4 110610000 -5.139000000000000E+001 1.00000000E-037 /chi.ab -220610000 5.139000000000000E+001 1.00000000E-037 /chi.ab ! !-------------------------------------------------------------------------------