Pgopher 10.0.505 13 Feb 2017 20:43 32 bit (Delphi 18.5/18) Mixture: 2MI_D2O_A_final.pgo Units MHz PrintLevel Detail Precision 4 BasisOrder boDefault QuantumNumberFormat J FitCycles 1 FitDetails False AutoReplot True AllowComplex False NoLineList False ShowEstUnc False ShowDerivatives False SVDlimit 5 ShowSubBasis False AllowZeroI False ScaledParameters True FixTransitionPhase False OldHyperfineOrder False SVDThresh 1E-6 ScaleChanges 1 SmallE 5.99584916E-14 Species: IMD Jmax 20 Concentration 1 AsymmetricMolecule: 2methim_D2O nNuclei 2 Colour Navy JAdjustSym False BlockMatrix True PointGroup C1 Representation Ir SReduction True eeWt 1 eoWt 1 oeWt 1 ooWt 1 C2zAxis a C2xAxis c PseudoC2v False FakeSym False PhaseAdjust False Abundance 1 AssumedOrigin 1E99 AsymmetricManifold: Ground Initial True EigenSearch True LimitSearch True AutoQConverge True UsePopParams False AsymmetricTop: v=0 Symmetry A Kmin all Kmax all A 4169.34488516448 Float B 1640.20221456874 Float C 1186.90456167625 Float DJK 0.00651802821168359 Float DJ 0.00027751139756495 Float = K^2 = sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)-K*(K-1)))/4 = (N*(N+1)-K^2)/2 = sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)-K*(K+1)))/4 = (-sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)-K*(K-1))))/4 = (N*(N+1)-K^2)/2 = (-sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)-K*(K+1))))/4 = -N*(N+1)*K^2 = -N^2*(N+1)^2 AsymmetricTopNucleus: N1 Spin 1 AsNext False MaxDJ -0.5 CHIzz 1.36182011937531 Float CHIxxmyy 4.13469823998335 Float Matrix elements for CHIzz not available Matrix elements for CHIxxmyy not available AsymmetricTopNucleus: N2 Spin 1 AsNext False MaxDJ -0.5 CHIzz -3.24690784508039 Float CHIxxmyy -0.668493907825101 Float Matrix elements for CHIzz not available Matrix elements for CHIxxmyy not available TransitionMoments: CartesianTransitionMoment: Axis a Strength 6.3 Symbolic Matrix Elements not available for CartesianTransitionMoment: Axis b CartesianTransitionMoment: Axis c Simulation: Simulation Intensity factor:0.333333333333333 (1 from Spol) IntensityUnits Arbitrary LifeModel lmNone PlotUnits MHz nDF 2000 WidthMult 6 AutoMin True AutoMax True ShowSum False ShowParts True ShowFortrat False UseUpper False ShowSymmetry True ShowDeltaJ False ScaleMarkSize True UseSymmetry False UseStateNumber False FortratQno J Fmin 10158.2998918268 Fmax 20365.172785456 Ymax 81.6365041372749 Temperature 2 SMargin -1 OThreshold 1E-6 Tvib -1 MinI 0.01 Tspin -1 PlotSplit 0.5 Fundamental Constants from CODATA 2014: h=6.62607004E-34 k=1.38064852E-23 NA=6.022140857E23 e=1.6021766208E-19 me=9.10938356E-31 Residuals before fit for 2methim_D2O for the Ground manifold F'S' #' F"S" #" Observed Calculated Obs-Calc StdDev 3 A 12 2 A 10 8263.8230 8263.8420 -0.0190 1.00000 4.6505 0.0000 : qR0,2(2)4,3,3,2 : 2methim_D2O v=0 3 0 3 4 3 - v=0 2 0 2 3 2 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 1: 5 A 1 4 A 1 8264.0480 8264.0530 -0.0050 1.00000 9.0513 0.0000 : qR0,2(2)4,5,3,4 : 2methim_D2O v=0 3 0 3 4 5 - v=0 2 0 2 3 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 2: 3 A 11 2 A 9 8264.0480 8264.0591 -0.0111 1.00000 5.6585 0.0000 : qR0,2(2)2,3,1,2 : 2methim_D2O v=0 3 0 3 2 3 - v=0 2 0 2 1 2 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 3: 4 A 5 3 A 5 8264.2130 8264.2379 -0.0249 1.00000 6.8188 0.0000 : qR0,2(2)3,4,2,3 : 2methim_D2O v=0 3 0 3 3 4 - v=0 2 0 2 2 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 4: 3 A 10 2 A 8 8264.2130 8264.2323 -0.0193 1.00000 4.4609 0.0000 : qR0,2(2)3,3,2,2 : 2methim_D2O v=0 3 0 3 3 3 - v=0 2 0 2 2 2 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 5: 3 A 29 3 A 19 8697.5320 8697.5145 0.0175 1.00000 .19662 0.0000 : qR2,0(2)4,3,3,3 : 2methim_D2O v=0 3 2 1 4 3 - v=0 2 2 0 3 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 6: 6 A 2 5 A 2 10302.1550 10302.1921 -0.0371 1.00000 10.081 0.0000 : qR1,3(3)5,6,4,5 : 2methim_D2O v=0 4 1 4 5 6 - v=0 3 1 3 4 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 7: 3 A 23 2 A 17 10795.8950 10795.9201 -0.0251 1.00000 5.2025 0.0000 : qR0,3(3)3,3,2,2 : 2methim_D2O v=0 4 0 4 3 3 - v=0 3 0 3 2 2 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 8: 5 A 4 4 A 4 10795.8950 10795.9230 -0.0280 1.00000 9.1820 0.0000 : qR0,3(3)5,5,4,4 : 2methim_D2O v=0 4 0 4 5 5 - v=0 3 0 3 4 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 9: 4 A 25 3 A 27 11264.5270 11264.4953 0.0317 1.00000 3.1619 0.0000 : qR2,2(3)4,4,3,3 : 2methim_D2O v=0 4 2 3 4 4 - v=0 3 2 2 3 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 10: 6 A 4 5 A 6 11264.7650 11264.7696 -0.0046 1.00000 6.9290 0.0000 : qR2,2(3)5,6,4,5 : 2methim_D2O v=0 4 2 3 5 6 - v=0 3 2 2 4 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 11: 5 A 13 4 A 15 11265.0010 11264.9755 0.0255 1.00000 2.5075 0.0000 : qR2,2(3)4,5,4,4 : 2methim_D2O v=0 4 2 3 4 5 - v=0 3 2 2 4 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 12: 5 A 13 4 A 16 11265.0010 11264.9753 0.0257 1.00000 3.0824 0.0000 : qR2,2(3)4,5,3,4 : 2methim_D2O v=0 4 2 3 4 5 - v=0 3 2 2 3 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 13: 5 A 11 4 A 11 12089.9020 12089.8954 0.0066 1.00000 8.7501 0.0000 : qR1,2(3)4,5,3,4 : 2methim_D2O v=0 4 1 3 4 5 - v=0 3 1 2 3 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 14: 5 A 20 4 A 20 12799.3010 12799.2865 0.0145 1.00000 8.3820 0.0000 : qR1,4(4)6,5,5,4 : 2methim_D2O v=0 5 1 5 6 5 - v=0 4 1 4 5 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 15: 3 A 40 2 A 34 12799.3010 12799.2849 0.0161 1.00000 4.6719 0.0000 : qR1,4(4)4,3,3,2 : 2methim_D2O v=0 5 1 5 4 3 - v=0 4 1 4 3 2 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 16: 7 A 2 6 A 2 12799.3010 12799.2818 0.0192 1.00000 11.468 0.0000 : qR1,4(4)6,7,5,6 : 2methim_D2O v=0 5 1 5 6 7 - v=0 4 1 4 5 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 17: 6 A 6 5 A 4 13209.8130 13209.8329 -0.0199 1.00000 10.347 0.0000 : qR0,4(4)6,6,5,5 : 2methim_D2O v=0 5 0 5 6 6 - v=0 4 0 4 5 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 18: 4 A 31 3 A 23 13209.8130 13209.8362 -0.0232 1.00000 6.6976 0.0000 : qR0,4(4)4,4,3,3 : 2methim_D2O v=0 5 0 5 4 4 - v=0 4 0 4 3 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 19: 3 A 39 2 A 29 13209.8130 13209.8285 -0.0155 1.00000 5.0356 0.0000 : qR0,4(4)4,3,3,2 : 2methim_D2O v=0 5 0 5 4 3 - v=0 4 0 4 3 2 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 20: 5 A 18 4 A 14 13209.8130 13209.8358 -0.0228 1.00000 8.2685 0.0000 : qR0,4(4)6,5,5,4 : 2methim_D2O v=0 5 0 5 6 5 - v=0 4 0 4 5 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 21: 6 A 14 5 A 12 14011.4740 14011.4349 0.0391 1.00000 7.0291 0.0000 : qR2,3(4)6,6,5,5 : 2methim_D2O v=0 5 2 4 6 6 - v=0 4 2 3 5 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 22: 7 A 4 6 A 4 14011.6690 14011.6687 0.0003 1.00000 8.4108 0.0000 : qR2,3(4)6,7,5,6 : 2methim_D2O v=0 5 2 4 6 7 - v=0 4 2 3 5 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 23: 5 A 32 4 A 26 14011.6690 14011.6558 0.0132 1.00000 6.0556 0.0000 : qR2,3(4)4,5,3,4 : 2methim_D2O v=0 5 2 4 4 5 - v=0 4 2 3 3 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 24: 6 A 15 5 A 13 14011.8370 14011.8064 0.0306 1.00000 7.0587 0.0000 : qR2,3(4)5,6,4,5 : 2methim_D2O v=0 5 2 4 5 6 - v=0 4 2 3 4 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 25: 4 A 48 3 A 36 14011.8370 14011.8312 0.0058 1.00000 4.5354 0.0000 : qR2,3(4)5,4,4,3 : 2methim_D2O v=0 5 2 4 5 4 - v=0 4 2 3 4 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 26: 7 A 12 6 A 12 14285.1760 14285.1779 -0.0019 1.00000 4.6781 0.0000 : qR3,2(4)6,7,5,6 : 2methim_D2O v=0 5 3 3 6 7 - v=0 4 3 2 5 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 27: 5 A 44 4 A 42 14285.1760 14285.1602 0.0158 1.00000 2.4760 0.0000 : qR3,2(4)4,5,3,4 : 2methim_D2O v=0 5 3 3 4 5 - v=0 4 3 2 3 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 28: 5 A 45 4 A 41 14285.3200 14285.3220 -0.0020 1.00000 2.7905 0.0000 : qR3,2(4)6,5,5,4 : 2methim_D2O v=0 5 3 3 6 5 - v=0 4 3 2 5 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 29: 4 A 55 3 A 48 14285.4590 14285.4744 -0.0154 1.00000 2.2987 0.0000 : qR3,2(4)5,4,4,3 : 2methim_D2O v=0 5 3 3 5 4 - v=0 4 3 2 4 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 30: 4 A 57 3 A 51 14372.3440 14372.3311 0.0129 1.00000 1.6218 0.0000 : qR3,1(4)4,4,3,3 : 2methim_D2O v=0 5 3 2 4 4 - v=0 4 3 1 3 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 31: 6 A 30 5 A 30 14372.3440 14372.3610 -0.0170 1.00000 2.8069 0.0000 : qR3,1(4)6,6,5,5 : 2methim_D2O v=0 5 3 2 6 6 - v=0 4 3 1 5 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 32: 5 A 48 4 A 45 14372.8320 14372.8380 -0.0060 1.00000 2.6298 0.0000 : qR3,1(4)4,5,3,4 : 2methim_D2O v=0 5 3 2 4 5 - v=0 4 3 1 3 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 33: 7 A 13 6 A 13 14372.8320 14372.8399 -0.0079 1.00000 4.6987 0.0000 : qR3,1(4)6,7,5,6 : 2methim_D2O v=0 5 3 2 6 7 - v=0 4 3 1 5 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 34: 4 A 49 3 A 37 14934.8140 14934.7975 0.0165 1.00000 4.8029 0.0000 : qR2,2(4)4,4,3,3 : 2methim_D2O v=0 5 2 3 4 4 - v=0 4 2 2 3 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 35: 6 A 16 5 A 14 14934.8140 14934.7948 0.0192 1.00000 7.1494 0.0000 : qR2,2(4)6,6,5,5 : 2methim_D2O v=0 5 2 3 6 6 - v=0 4 2 2 5 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 36: 7 A 5 6 A 5 14935.0370 14935.0061 0.0309 1.00000 8.7557 0.0000 : qR2,2(4)6,7,5,6 : 2methim_D2O v=0 5 2 3 6 7 - v=0 4 2 2 5 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 37: 5 A 35 4 A 29 14935.0370 14935.0033 0.0337 1.00000 6.1482 0.0000 : qR2,2(4)4,5,3,4 : 2methim_D2O v=0 5 2 3 4 5 - v=0 4 2 2 3 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 38: 6 A 10 5 A 10 14978.0450 14978.0436 0.0014 1.00000 9.6668 0.0000 : qR1,3(4)6,6,5,5 : 2methim_D2O v=0 5 1 4 6 6 - v=0 4 1 3 5 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 39: 8 A 2 7 A 2 15261.7350 15261.7277 0.0073 1.00000 11.383 0.0000 : qR1,5(5)7,8,6,7 : 2methim_D2O v=0 6 1 6 7 8 - v=0 5 1 5 6 7 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 40: 6 A 22 5 A 20 15261.7350 15261.7355 -0.0005 1.00000 8.6542 0.0000 : qR1,5(5)7,6,6,5 : 2methim_D2O v=0 6 1 6 7 6 - v=0 5 1 5 6 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 41: 4 A 52 3 A 40 15261.7350 15261.7273 0.0077 1.00000 5.5392 0.0000 : qR1,5(5)5,4,4,3 : 2methim_D2O v=0 6 1 6 5 4 - v=0 5 1 5 4 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 42: 5 A 39 4 A 33 15261.7350 15261.7005 0.0345 1.00000 6.8793 0.0000 : qR1,5(5)5,5,4,4 : 2methim_D2O v=0 6 1 6 5 5 - v=0 5 1 5 4 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 43: 7 A 6 6 A 6 15556.2860 15556.2972 -0.0112 1.00000 10.222 0.0000 : qR0,5(5)7,7,6,6 : 2methim_D2O v=0 6 0 6 7 7 - v=0 5 0 5 6 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 44: 4 A 51 3 A 39 15556.2860 15556.3067 -0.0207 1.00000 5.7759 0.0000 : qR0,5(5)5,4,4,3 : 2methim_D2O v=0 6 0 6 5 4 - v=0 5 0 5 4 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 45: 5 A 37 4 A 31 15556.2860 15556.3054 -0.0194 1.00000 7.1765 0.0000 : qR0,5(5)5,5,4,4 : 2methim_D2O v=0 6 0 6 5 5 - v=0 5 0 5 4 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 46: 6 A 20 5 A 18 15556.2860 15556.3203 -0.0343 1.00000 8.3964 0.0000 : qR0,5(5)6,6,6,5 : 2methim_D2O v=0 6 0 6 6 6 - v=0 5 0 5 6 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 47: 8 A 1 7 A 1 15556.2860 15556.3303 -0.0443 1.00000 11.869 0.0000 : qR0,5(5)7,8,6,7 : 2methim_D2O v=0 6 0 6 7 8 - v=0 5 0 5 6 7 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 48: 8 A 4 7 A 4 16714.3440 16714.3002 0.0438 1.00000 8.4512 0.0000 : qR2,4(5)7,8,6,7 : 2methim_D2O v=0 6 2 5 7 8 - v=0 5 2 4 6 7 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 49: 4 A 58 3 A 52 16714.3440 16714.2939 0.0501 1.00000 4.1126 0.0000 : qR2,4(5)5,4,4,3 : 2methim_D2O v=0 6 2 5 5 4 - v=0 5 2 4 4 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 50: 6 A 33 5 A 33 16714.3440 16714.3012 0.0428 1.00000 6.1995 0.0000 : qR2,4(5)7,6,6,5 : 2methim_D2O v=0 6 2 5 7 6 - v=0 5 2 4 6 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 51: 6 A 32 5 A 32 16714.3440 16714.2944 0.0496 1.00000 6.3793 0.0000 : qR2,4(5)5,6,4,5 : 2methim_D2O v=0 6 2 5 5 6 - v=0 5 2 4 4 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 52: 6 A 46 5 A 46 17386.5090 17386.5391 -0.0301 1.00000 3.7717 0.0000 : qR3,2(5)6,6,5,5 : 2methim_D2O v=0 6 3 3 6 6 - v=0 5 3 2 5 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 53: 7 A 26 6 A 29 17386.5090 17386.5380 -0.0290 1.00000 1.9900 0.0000 : qR3,2(5)7,7,5,6 : 2methim_D2O v=0 6 3 3 7 7 - v=0 5 3 2 5 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 54: 5 A 61 4 A 56 17386.5090 17386.5375 -0.0285 1.00000 1.6485 0.0000 : qR3,2(5)5,5,5,4 : 2methim_D2O v=0 6 3 3 5 5 - v=0 5 3 2 5 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 55: 7 A 27 6 A 29 17386.8250 17386.8407 -0.0157 1.00000 2.6866 0.0000 : qR3,2(5)6,7,5,6 : 2methim_D2O v=0 6 3 3 6 7 - v=0 5 3 2 5 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 56: 5 A 62 4 A 57 17386.8250 17386.8316 -0.0066 1.00000 1.3682 0.0000 : qR3,2(5)6,5,4,4 : 2methim_D2O v=0 6 3 3 6 5 - v=0 5 3 2 4 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 57: 4 A 67 3 A 55 17386.8250 17386.8296 -0.0046 1.00000 2.5535 0.0000 : qR3,2(5)5,4,4,3 : 2methim_D2O v=0 6 3 3 5 4 - v=0 5 3 2 4 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 58: 6 A 48 5 A 47 17386.8250 17386.8408 -0.0158 1.00000 3.0914 0.0000 : qR3,2(5)7,6,6,5 : 2methim_D2O v=0 6 3 3 7 6 - v=0 5 3 2 6 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 59: 7 A 23 6 A 23 17695.0510 17695.0313 0.0197 1.00000 7.6108 0.0000 : qR1,6(6)7,7,6,6 : 2methim_D2O v=0 7 1 7 7 7 - v=0 6 1 6 6 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 60: 6 A 41 5 A 39 17695.0510 17695.0338 0.0172 1.00000 6.6013 0.0000 : qR1,6(6)6,6,5,5 : 2methim_D2O v=0 7 1 7 6 6 - v=0 6 1 6 5 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 61: 5 A 58 4 A 52 17695.0510 17695.0500 0.0010 1.00000 5.5353 0.0000 : qR1,6(6)6,5,5,4 : 2methim_D2O v=0 7 1 7 6 5 - v=0 6 1 6 5 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 62: 7 A 22 6 A 22 17695.0510 17695.0589 -0.0079 1.00000 7.9360 0.0000 : qR1,6(6)8,7,7,6 : 2methim_D2O v=0 7 1 7 8 7 - v=0 6 1 6 7 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 63: 9 A 2 8 A 2 17695.0510 17695.0509 0.0001 1.00000 10.128 0.0000 : qR1,6(6)8,9,7,8 : 2methim_D2O v=0 7 1 7 8 9 - v=0 6 1 6 7 8 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 64: 6 A 25 5 A 25 17756.9630 17756.9651 -0.0021 1.00000 8.1074 0.0000 : qR1,4(5)5,6,4,5 : 2methim_D2O v=0 6 1 5 5 6 - v=0 5 1 4 4 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 65: 6 A 26 5 A 26 17756.9630 17756.9673 -0.0043 1.00000 8.0402 0.0000 : qR1,4(5)7,6,6,5 : 2methim_D2O v=0 6 1 5 7 6 - v=0 5 1 4 6 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 66: 4 A 53 3 A 47 17756.9630 17756.9373 0.0257 1.00000 5.2914 0.0000 : qR1,4(5)5,4,4,3 : 2methim_D2O v=0 6 1 5 5 4 - v=0 5 1 4 4 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 67: 7 A 10 6 A 10 17756.9630 17756.9408 0.0222 1.00000 9.3097 0.0000 : qR1,4(5)7,7,6,6 : 2methim_D2O v=0 6 1 5 7 7 - v=0 5 1 4 6 6 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 68: 9 A 1 8 A 1 17884.2780 17884.2941 -0.0161 1.00000 10.357 0.0000 : qR0,6(6)8,9,7,8 : 2methim_D2O v=0 7 0 7 8 9 - v=0 6 0 6 7 8 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 69: 8 A 6 7 A 6 17884.2780 17884.2657 0.0123 1.00000 9.1025 0.0000 : qR0,6(6)8,8,7,7 : 2methim_D2O v=0 7 0 7 8 8 - v=0 6 0 6 7 7 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 70: 5 A 57 4 A 51 17884.2780 17884.2820 -0.0040 1.00000 5.6606 0.0000 : qR0,6(6)6,5,5,4 : 2methim_D2O v=0 7 0 7 6 5 - v=0 6 0 6 5 4 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 71: 6 A 39 5 A 37 17884.2780 17884.2770 0.0010 1.00000 6.7509 0.0000 : qR0,6(6)6,6,5,5 : 2methim_D2O v=0 7 0 7 6 6 - v=0 6 0 6 5 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 72: 6 A 37 5 A 35 18110.5750 18110.6055 -0.0305 1.00000 6.5015 0.0000 : qR2,3(5)5,6,4,5 : 2methim_D2O v=0 6 2 4 5 6 - v=0 5 2 3 4 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 73: 6 A 38 5 A 36 18110.5750 18110.6078 -0.0328 1.00000 6.4749 0.0000 : qR2,3(5)7,6,6,5 : 2methim_D2O v=0 6 2 4 7 6 - v=0 5 2 3 6 5 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 74: 4 A 65 3 A 53 18110.5750 18110.6027 -0.0277 1.00000 4.2515 0.0000 : qR2,3(5)5,4,4,3 : 2methim_D2O v=0 6 2 4 5 4 - v=0 5 2 3 4 3 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 75: 8 A 5 7 A 5 18110.5750 18110.6079 -0.0329 1.00000 8.7365 0.0000 : qR2,3(5)7,8,6,7 : 2methim_D2O v=0 6 2 4 7 8 - v=0 5 2 3 6 7 : 2methylimid_cu_1_1_7bar_ar_13072021_15000_390k_0-25 : 76: SVD fit: 76 Observations, 9 Parameters (scaled) Initial Average Error: 0.0242457918764023 Predicted New Error: 0.02424579054615 Parameters: # Old New Std Dev Change/Std Sens Summary Name 1 4169.34488516448 4169.34490505174 .03642235 0.0005 .001695 4169.345(36) v=0 A 2 1640.20221456874 1640.20221411939 .00131370 -0.0003 5.33e-5 1640.2022(13) v=0 B 3 1186.90456167625 1186.90456081192 .00159163 -0.0005 3.75e-5 1186.9046(16) v=0 C 4 .00651802821168359 .00651798750414806 .00013729 -0.0003 5.64e-6 6.52(14)e-3 v=0 DJK 5 .000277511397564950 .000277504416056956 1.4360e-5 -0.0005 3.51e-7 2.78(14)e-4 v=0 DJ 6 1.36182011937531 1.36194211720543 .08728790 0.0014 .007419 1.362(87) N1 CHIzz 7 4.13469823998335 4.13527485176517 .26207485 0.0022 .019419 4.14(26) N1 CHIxxmyy 8 -3.24690784508039 -3.24687511235645 .06667458 0.0005 .005824 -3.247(67) N2 CHIzz 9 -.668493907825101 -.668177493051758 .18297946 0.0017 .015837 -0.67(18) N2 CHIxxmyy Correlation Matrix Determinant = 0.007, Largest off-diagonal element = 0.807 at 5,3 = v=0 DJ, v=0 C 1 2 3 4 5 6 7 8 9 1 1.000 2 0.174 1.000 3 -0.620 0.166 1.000 4 -0.412 0.535 0.265 1.000 5 -0.159 0.404 0.807 -0.018 1.000 6 0.013 -0.026 -0.094 -0.026 -0.111 1.000 7 0.266 -0.094 -0.134 -0.092 -0.109 0.252 1.000 8 -0.005 -0.049 -0.093 -0.071 -0.074 0.260 -0.235 1.000 9 0.068 -0.104 -0.142 -0.055 -0.132 -0.046 0.371 -0.055 1.000