CH2CL2 v9=1 Thu Jun 13 16:32:48 2024 31 288 5 0 0.0000E+000 5.0000E+002 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0,,,,,,,,,,,,, 10000 3.169264189531438E+004 1.00000000E+000 / A 20000 3.307513552964294E+003 1.00000000E+000 / B 30000 3.068916324336949E+003 1.00000000E+000 / C 200 -1.579048570096510E-003 1.00000000E+000 /-DJ 1100 6.067323390911672E-002 1.00000000E+000 /-DJK 2000 -4.907685937105099E-001 1.00000000E+000 /-DK 40100 -1.237586417224102E-004 1.00000000E+000 /-delJ 41000 -1.927029154862409E-003 1.00000000E+000 /-delK 300 2.683737749413363E-008 1.00000000E+000 /HJ 1200 0.000000000000000E+000 1.00000000E-037 /HJK 2100 7.314009140489793E-005 1.00000000E+000 /HKJ 3000 0.000000000000000E+000 1.00000000E-037 /HK 40200 0.000000000000000E+000 1.00000000E-037 /hJ 41100 0.000000000000000E+000 1.00000000E-037 /hJK 42000 5.693021920056198E-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 3.193810072413026E-007 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 -6.194110720575745E+001 1.00000000E+000 /chi.aa*3/2 -220010000 -6.194110720575745E+001 1.00000000E-037 /chi.aa*3/2 110040000 -9.637352731675936E+000 1.00000000E+000 /chi(b-c)/4 -220040000 -9.637352731675936E+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 ! ! !------------------------------------------------------------------------------- ! Unfitted sextics and octics zeroed - probably a better decision ! chi_ab updated to latest g.s. value ! chi_ab is fittable -51.5(13) but no significant change in deviation ! ! RMS ERROR= 2.32380 2.32380 ! CH2CL2 v9=1 Thu Jun 13 16:32:48 2024 31 288 5 0 0.0000E+000 5.0000E+002 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0,,,,,,,,,,,,, 10000 3.169264189531438E+004 1.00000000E+000 / A 20000 3.307513552964294E+003 1.00000000E+000 / B 30000 3.068916324336949E+003 1.00000000E+000 / C 200 -1.579048570096510E-003 1.00000000E+000 /-DJ 1100 6.067323390911672E-002 1.00000000E+000 /-DJK 2000 -4.907685937105099E-001 1.00000000E+000 /-DK 40100 -1.237586417224102E-004 1.00000000E+000 /-delJ 41000 -1.927029154862409E-003 1.00000000E+000 /-delK 300 2.683737749413363E-008 1.00000000E+000 /HJ 1200 0.000000000000000E+000 1.00000000E-037 /HJK 2100 7.314009140489793E-005 1.00000000E+000 /HKJ 3000 0.000000000000000E+000 1.00000000E-037 /HK 40200 0.000000000000000E+000 1.00000000E-037 /hJ 41100 0.000000000000000E+000 1.00000000E-037 /hJK 42000 5.693021920056198E-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 3.193810072413026E-007 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 -6.194110720575745E+001 1.00000000E+000 /chi.aa*3/2 -220010000 -6.194110720575745E+001 1.00000000E-037 /chi.aa*3/2 110040000 -9.637352731675936E+000 1.00000000E+000 /chi(b-c)/4 -220040000 -9.637352731675936E+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 ! !-------------------------------------------------------------------------------