CH2CL2: v4=1 Fri Jun 21 14:31:40 2024 31 296 4 0 0.0000E+000 3.0000E+001 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0,,,,,,,,,,,,, 10000 3.219733745545819E+004 1.00000000E+000 / A 20000 3.317700219402227E+003 1.00000000E+000 / B 30000 3.060928765215868E+003 1.00000000E+000 / C 200 -1.387960222802089E-003 1.00000000E+000 /-DJ 1100 2.616300623335428E-002 1.00000000E+000 /-DJK 2000 -4.882726264144340E-001 1.00000000E+000 /-DK 40100 -1.767939575014691E-004 1.00000000E+000 /-delJ 41000 -5.911995279573079E-003 1.00000000E+000 /-delK 300 8.848100000000003E-010 1.00000000E-037 /HJ 1200 1.168200000000400E-008 1.00000000E-037 /HJK 2100 -1.737970000000002E-006 1.00000000E-037 /HKJ 3000 2.305110000000000E-005 1.00000000E-037 /HK 40200 2.842200000030003E-010 1.00000000E-037 /hJ 41100 4.058000000000002E-009 1.00000000E-037 /hJK 42000 1.492000000000000E-006 1.00000000E-037 /hK 400 0.000000000000000E+000 1.00000000E-037 /LJ 1300 -6.470000000000004E-014 1.00000000E-037 /LJJK 2200 4.890000000000000E-012 1.00000000E-037 /LJK 3100 1.026000000000000E-010 1.00000000E-037 /LKKJ 4000 -1.511200000000000E-009 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 7.590000000000008E-010 1.00000000E-037 /lK 5000 -0.000000000000000E+000 1.00000000E-037 /PK 110010000 -6.288622846958943E+001 1.00000000E+000 /chi.aa*3/2 -220010000 -6.288622846958943E+001 1.00000000E-037 /chi.aa*3/2 110040000 -9.505843546812365E+000 1.00000000E+000 /chi(b-c)/4 -220040000 -9.505843546812365E+000 1.00000000E-037 /chi(b-c)/4 110610000 -5.122000000000000E+001 1.00000000E-037 /chi.ab -220610000 5.122000000000000E+001 1.00000000E-037 /chi.ab ! !------------------------------------------------------------------------------- ! with chi9_ab fixed to mean between g.s. and v4=2 ! ! RMS ERROR= 0.85801 0.85801 ! CH2CL2: v4=1 Fri Jun 21 14:31:40 2024 31 296 4 0 0.0000E+000 3.0000E+001 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0,,,,,,,,,,,,, 10000 3.219733745545819E+004 1.00000000E+000 / A 20000 3.317700219402227E+003 1.00000000E+000 / B 30000 3.060928765215868E+003 1.00000000E+000 / C 200 -1.387960222802089E-003 1.00000000E+000 /-DJ 1100 2.616300623335428E-002 1.00000000E+000 /-DJK 2000 -4.882726264144340E-001 1.00000000E+000 /-DK 40100 -1.767939575014691E-004 1.00000000E+000 /-delJ 41000 -5.911995279573079E-003 1.00000000E+000 /-delK 300 8.848100000000003E-010 1.00000000E-037 /HJ 1200 1.168200000000400E-008 1.00000000E-037 /HJK 2100 -1.737970000000002E-006 1.00000000E-037 /HKJ 3000 2.305110000000000E-005 1.00000000E-037 /HK 40200 2.842200000030003E-010 1.00000000E-037 /hJ 41100 4.058000000000002E-009 1.00000000E-037 /hJK 42000 1.492000000000000E-006 1.00000000E-037 /hK 400 0.000000000000000E+000 1.00000000E-037 /LJ 1300 -6.470000000000004E-014 1.00000000E-037 /LJJK 2200 4.890000000000000E-012 1.00000000E-037 /LJK 3100 1.026000000000000E-010 1.00000000E-037 /LKKJ 4000 -1.511200000000000E-009 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 7.590000000000008E-010 1.00000000E-037 /lK 5000 -0.000000000000000E+000 1.00000000E-037 /PK 110010000 -6.288622846958943E+001 1.00000000E+000 /chi.aa*3/2 -220010000 -6.288622846958943E+001 1.00000000E-037 /chi.aa*3/2 110040000 -9.505843546812365E+000 1.00000000E+000 /chi(b-c)/4 -220040000 -9.505843546812365E+000 1.00000000E-037 /chi(b-c)/4 110610000 -5.122000000000000E+001 1.00000000E-037 /chi.ab -220610000 5.122000000000000E+001 1.00000000E-037 /chi.ab ! !-------------------------------------------------------------------------------