Pgopher 8.0.323 02 Mar 2015 21:09 64 bit Unicode (Delphi 24/24) Mixture: NH2D_B3X0_fit.pgo Units cm1 PrintLevel Detail Precision 3 BasisOrder boDiagonal QuantumNumberFormat J FitCycles 1 FitDetails False AutoReplot True AllowComplex True NoLineList False ShowEstUnc False ShowDerivatives False SVDlimit 5 ShowSubBasis False SVDThresh 1E-15 ScaleChanges 1 SmallE 2E-18 Species: NH3 Jmax 15 Concentration 1 AsymmetricMolecule: NH2D JAdjustSym True BlockMatrix True PointGroup C2v Representation IIIr SReduction True eeWt 1 eoWt 1 oeWt 3 ooWt 3 C2zAxis a C2xAxis c PseudoC2v False FakeSym False PhaseAdjust False Abundance 1 AsymmetricManifold: X Initial True EigenSearch True LimitSearch True AutoQConverge True UsePopParams False AsymmetricTop: X v=0 Symmetry A1 Kmin all Kmax all A 9.67729453687591 B 6.41088811513731 C 4.69666616829967 DK 0.00036523212668 DJK -0.00079847331583 DJ 0.00052744084375 deltaK 4.46759471180559E-6 deltaJ -0.0001393532405 HK -1.28669437708136E-7 HKJ 2.97174100357121E-7 HJK -2.87431477012007E-7 HJ 1.21678884930454E-7 phiK 1.1271594764402E-9 phiJK 1.35014570646737E-8 phiJ 6.07762757660835E-8 LK -4.60290098425358E-11 LKKJ 1.69190580504864E-10 LJK -1.67097265669038E-10 LJJK 9.39089535067623E-11 LJ -3.12213157810661E-11 llJ -1.15660648140788E-11 = 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 = K^2 = -K^4 = -N*(N+1)*K^2 = -N^2*(N+1)^2 = sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)+(-K+2)*(K-3))*(N*(N+1)+(-K+3)*(K-4))*(N*(N+1)-K*(K-1))) = sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)+(-K-2)*(K+3))*(N*(N+1)+(-K-3)*(K+4))*(N*(N+1)-K*(K+1))) = N*(N+1)*sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)-K*(K-1))) = N*(N+1)*sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)-K*(K+1))) = K^6 = N*(N+1)*K^4 = N^2*(N+1)^2*K^2 = N^3*(N+1)^3 = sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)+(-K+2)*(K-3))*(N*(N+1)+(-K+3)*(K-4))*(N*(N+1)+(-K+4)*(K-5))*(N*(N+1)+(-K+5)*(K-6))*(N*(N+1)-K*(K-1))) = sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)+(-K-2)*(K+3))*(N*(N+1)+(-K-3)*(K+4))*(N*(N+1)+(-K-4)*(K+5))*(N*(N+1)+(-K-5)*(K+6))*(N*(N+1)-K*(K+1))) = N*(N+1)*sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)+(-K+2)*(K-3))*(N*(N+1)+(-K+3)*(K-4))*(N*(N+1)-K*(K-1))) = N*(N+1)*sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)+(-K-2)*(K+3))*(N*(N+1)+(-K-3)*(K+4))*(N*(N+1)-K*(K+1))) = N^2*(N+1)^2*sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)-K*(K-1))) = N^2*(N+1)^2*sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)-K*(K+1))) = K^8 = N*(N+1)*K^6 = N^2*(N+1)^2*K^4 = N^3*(N+1)^3*K^2 = N^4*(N+1)^4 = N^3*(N+1)^3*sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)-K*(K-1))) = N^3*(N+1)^3*sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)-K*(K+1))) AsymmetricTop: X v=1 Symmetry B1 Kmin all Kmax all Origin 0.4059278489254 A 9.67416903463261 B 6.40974892477115 C 4.69741338522932 DK 0.00035797749455 DJK -0.000785659778 DJ 0.00052127554856 deltaK 4.86134277600806E-6 deltaJ -0.00013663511374 HK -1.17038274525238E-7 HKJ 2.72300626055109E-7 HJK -2.62163373035889E-7 HJ 1.09952145627359E-7 phiK 1.27123508223813E-9 phiJK 1.19194903161973E-8 phiJ 5.41259753772725E-8 LK -2.61759753809417E-11 LKKJ 1.1950267274569E-10 LJK -1.19857084596838E-10 LJJK 6.66475939164554E-11 LJ -2.12893047496212E-11 llJ -7.62986505817968E-12 = 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 = K^2 = -K^4 = -N*(N+1)*K^2 = -N^2*(N+1)^2 = sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)+(-K+2)*(K-3))*(N*(N+1)+(-K+3)*(K-4))*(N*(N+1)-K*(K-1))) = sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)+(-K-2)*(K+3))*(N*(N+1)+(-K-3)*(K+4))*(N*(N+1)-K*(K+1))) = N*(N+1)*sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)-K*(K-1))) = N*(N+1)*sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)-K*(K+1))) = K^6 = N*(N+1)*K^4 = N^2*(N+1)^2*K^2 = N^3*(N+1)^3 = sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)+(-K+2)*(K-3))*(N*(N+1)+(-K+3)*(K-4))*(N*(N+1)+(-K+4)*(K-5))*(N*(N+1)+(-K+5)*(K-6))*(N*(N+1)-K*(K-1))) = sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)+(-K-2)*(K+3))*(N*(N+1)+(-K-3)*(K+4))*(N*(N+1)+(-K-4)*(K+5))*(N*(N+1)+(-K-5)*(K+6))*(N*(N+1)-K*(K+1))) = N*(N+1)*sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)+(-K+2)*(K-3))*(N*(N+1)+(-K+3)*(K-4))*(N*(N+1)-K*(K-1))) = N*(N+1)*sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)+(-K-2)*(K+3))*(N*(N+1)+(-K-3)*(K+4))*(N*(N+1)-K*(K+1))) = N^2*(N+1)^2*sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)-K*(K-1))) = N^2*(N+1)^2*sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)-K*(K+1))) = K^8 = N*(N+1)*K^6 = N^2*(N+1)^2*K^4 = N^3*(N+1)^3*K^2 = N^4*(N+1)^4 = N^3*(N+1)^3*sqrt((N*(N+1)+(-K+1)*(K-2))*(N*(N+1)-K*(K-1))) = N^3*(N+1)^3*sqrt((N*(N+1)+(-K-1)*(K+2))*(N*(N+1)-K*(K+1))) AsymmetricTopPerturbation: X Value -0.17160591811819 = (sqrt(N*(N+1)-K*(K-1))*(2*K-1))/2 = (sqrt(N*(N+1)-K*(K+1))*(2*K+1))/2 AsymmetricManifold: B Initial True EigenSearch True LimitSearch True AutoQConverge True UsePopParams False AsymmetricTop: B A2 Colour Navy Symmetry B2 Kmin all Kmax all Origin 61848.1976613224 Float, Increment = 0.1 A 8.44869933113164 Float, Increment = 0.001 B 6.08875933897265 Float, Increment = 0.001 C 4.07742875206726 Float, Increment = 0.001 = 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 = K^2 AsymmetricTop: B B1 Colour Maroon Symmetry A1 Kmin all Kmax all Origin 61875.263249906 Float, Increment = 0.1 A 9.30013911059233 Float, Increment = 0.001 B 5.76757242173195 Float, Increment = 0.001 C 4.07742875206726 Float, Increment = 0.001 = 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 = K^2 AsymmetricTopPerturbation: B Value -6.81033560144634 Float = K AsymmetricTopPerturbation: B Value 0.588880843905691 Float = (-sqrt((-N*(N+1)+(K-1)*(K-2))*(N*(N+1)-K*(K-1))))/2 = sqrt((-N*(N+1)+(K+1)*(K+2))*(N*(N+1)-K*(K+1)))/2 TransitionMoments: SphericalTransitionMoment: Rank 2 Component 1 Strength 1 Reduced Matrix Elements of = -1^(2*N-2*K-5)*sqrt(((N-K)*(N+K)*(N+K-1)*(N+K-2))/(N*(2*N-1)*(N-1))) = -1^(2*N-2*K-7)*sqrt(((N-K)*(N-K-1)*(N-K-2)*(N+K))/(N*(2*N-1)*(N-1))) = -1^(2*N-2*K-3)*(N-2*K+1)*sqrt(((N+K)*(N+K-1))/(2*N*(N-1)*(N+1))) = -1^(2*N-2*K-5)*(-N-2*K-1)*sqrt(((N-K)*(N-K-1))/(2*N*(N-1)*(N+1))) = (-1^(2*N-2*K-1)*(2*N+1)*sqrt((6*(N-K+1)*(N+K))/(N*(2*N-1)*(2*N+1)*(2*N+3)*(N+1)))*(-2*K+1))/2 = (-1^(2*N-2*K-3)*(2*N+1)*sqrt((6*(N-K)*(N+K+1))/(N*(2*N-1)*(2*N+1)*(2*N+3)*(N+1)))*(2*K+1))/2 = -1^(2*N-2*K+1)*(-N-2*K)*sqrt(((N-K+1)*(N-K+2))/(2*N*(N+1)*(N+2))) = -1^(2*N-2*K-1)*(N-2*K)*sqrt(((N+K+1)*(N+K+2))/(2*N*(N+1)*(N+2))) = -1^(2*(N-K+2))*sqrt(((N-K+1)*(N-K+2)*(N-K+3)*(N+K+1))/((2*N+3)*(N+1)*(N+2))) = -1^(2*(N-K+1))*sqrt(((N-K+1)*(N+K+1)*(N+K+2)*(N+K+3))/((2*N+3)*(N+1)*(N+2))) Line Strengths from = (-1^(2*(2*N-2*K-5))*(N-K)*(N+K)*(N+K-1)*(N+K-2))/(N*(2*N-1)*(N-1)) = (-1^(2*(2*N-2*K-7))*(N-K)*(N-K-1)*(N-K-2)*(N+K))/(N*(2*N-1)*(N-1)) = (-1^(2*(2*N-2*K-3))*(N-2*K+1)^2*(N+K)*(N+K-1))/(2*N*(N-1)*(N+1)) = (-1^(2*(2*N-2*K-5))*(-N-2*K-1)^2*(N-K)*(N-K-1))/(2*N*(N-1)*(N+1)) = (3*-1^(2*(2*N-2*K-1))*(2*N+1)*(N-K+1)*(N+K)*(-2*K+1)^2)/(2*N*(2*N-1)*(2*N+3)*(N+1)) = (3*-1^(2*(2*N-2*K-3))*(2*N+1)*(N-K)*(N+K+1)*(2*K+1)^2)/(2*N*(2*N-1)*(2*N+3)*(N+1)) = (-1^(2*(2*N-2*K+1))*(-N-2*K)^2*(N-K+1)*(N-K+2))/(2*N*(N+1)*(N+2)) = (-1^(2*(2*N-2*K-1))*(N-2*K)^2*(N+K+1)*(N+K+2))/(2*N*(N+1)*(N+2)) = (-1^(4*(N-K+2))*(N-K+1)*(N-K+2)*(N-K+3)*(N+K+1))/((2*N+3)*(N+1)*(N+2)) = (-1^(4*(N-K+1))*(N-K+1)*(N+K+1)*(N+K+2)*(N+K+3))/((2*N+3)*(N+1)*(N+2)) SphericalTransitionMoment: Rank 2 Component -1 Strength 1 Reduced Matrix Elements of = -1^(2*(N-K-2))*sqrt(((N-K)*(N+K)*(N+K-1)*(N+K-2))/(N*(2*N-1)*(N-1))) = -1^(2*N-2*K-7)*sqrt(((N-K)*(N-K-1)*(N-K-2)*(N+K))/(N*(2*N-1)*(N-1))) = -1^(2*(N-K-1))*(N-2*K+1)*sqrt(((N+K)*(N+K-1))/(2*N*(N-1)*(N+1))) = -1^(2*N-2*K-5)*(-N-2*K-1)*sqrt(((N-K)*(N-K-1))/(2*N*(N-1)*(N+1))) = (-1^(2*(N-K))*(2*N+1)*sqrt((6*(N-K+1)*(N+K))/(N*(2*N-1)*(2*N+1)*(2*N+3)*(N+1)))*(-2*K+1))/2 = (-1^(2*N-2*K-3)*(2*N+1)*sqrt((6*(N-K)*(N+K+1))/(N*(2*N-1)*(2*N+1)*(2*N+3)*(N+1)))*(2*K+1))/2 = -1^(2*(N-K+1))*(-N-2*K)*sqrt(((N-K+1)*(N-K+2))/(2*N*(N+1)*(N+2))) = -1^(2*N-2*K-1)*(N-2*K)*sqrt(((N+K+1)*(N+K+2))/(2*N*(N+1)*(N+2))) = -1^(2*N-2*K+5)*sqrt(((N-K+1)*(N-K+2)*(N-K+3)*(N+K+1))/((2*N+3)*(N+1)*(N+2))) = -1^(2*(N-K+1))*sqrt(((N-K+1)*(N+K+1)*(N+K+2)*(N+K+3))/((2*N+3)*(N+1)*(N+2))) Line Strengths from = (-1^(4*(N-K-2))*(N-K)*(N+K)*(N+K-1)*(N+K-2))/(N*(2*N-1)*(N-1)) = (-1^(2*(2*N-2*K-7))*(N-K)*(N-K-1)*(N-K-2)*(N+K))/(N*(2*N-1)*(N-1)) = (-1^(4*(N-K-1))*(N-2*K+1)^2*(N+K)*(N+K-1))/(2*N*(N-1)*(N+1)) = (-1^(2*(2*N-2*K-5))*(-N-2*K-1)^2*(N-K)*(N-K-1))/(2*N*(N-1)*(N+1)) = (3*-1^(4*(N-K))*(2*N+1)*(N-K+1)*(N+K)*(-2*K+1)^2)/(2*N*(2*N-1)*(2*N+3)*(N+1)) = (3*-1^(2*(2*N-2*K-3))*(2*N+1)*(N-K)*(N+K+1)*(2*K+1)^2)/(2*N*(2*N-1)*(2*N+3)*(N+1)) = (-1^(4*(N-K+1))*(-N-2*K)^2*(N-K+1)*(N-K+2))/(2*N*(N+1)*(N+2)) = (-1^(2*(2*N-2*K-1))*(N-2*K)^2*(N+K+1)*(N+K+2))/(2*N*(N+1)*(N+2)) = (-1^(2*(2*N-2*K+5))*(N-K+1)*(N-K+2)*(N-K+3)*(N+K+1))/((2*N+3)*(N+1)*(N+2)) = (-1^(4*(N-K+1))*(N-K+1)*(N+K+1)*(N+K+2)*(N+K+3))/((2*N+3)*(N+1)*(N+2)) Simulation: Simulation Intensity factor:0.333333333333333 (1 from Spol) IntensityUnits Normalized LifeModel lmNone PlotUnits cm1 nDF 2000 WidthMult 6 AutoMin True AutoMax True ShowSum True ShowParts False ShowFortrat False UseUpper False ShowSymmetry True ShowDeltaJ True ScaleMarkSize True UseSymmetry False UseStateNumber False FortratQno J Fmin 61820.7566614084 Fmax 61965.6663444735 Ymin 1.10701611149532E-5 Ymax 0.0810424389059549 Temperature 15 Lorentzian 0.9 SMargin -1 OThreshold 1E-6 Tvib -3.335640952E-5 Tspin 300 PlotSplit 0.5 Fundamental Constants from CODATA 2010: h=6.62606957E-34 k=1.3806488E-23 NA=6.02214129E23 e=1.602176565E-19 me=9.10938291E-31 Residuals before fit for NH2D for the B - X Transition J'S' #' J"S" #" Observed Calculated Obs-Calc StdDev 1 E- 1 1 E- 1 61847.743 61847.959 -0.216 1.00000 :B A2 1 1 0 - X v=1 1 1 1:: .00524 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 6:NH2D_B3X0.lin 1 O- 1 1 O- 2 61842.497 61842.445 0.052 1.00000 :B A2 1 1 1 - X v=1 1 1 0:: .00682 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 7:NH2D_B3X0.lin 2 E- 1 1 E+ 1 61861.201 61861.164 0.037 1.00000 :B A2 2 0 2 - X v=1 1 0 1:: .00832 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 8:NH2D_B3X0.lin 2 E- 1 2 E- 2 61822.430 61822.462 -0.032 1.00000 :B A2 2 0 2 - X v=1 2 2 1:: .00281 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 9:NH2D_B3X0.lin 2 O+ 1 1 O- 2 61867.248 61867.300 -0.052 1.00000 :B A2 2 1 1 - X v=1 1 1 0:: .00345 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 10:NH2D_B3X0.lin 2 E+ 1 1 E- 1 61858.495 61858.485 0.010 1.00000 :B A2 2 1 2 - X v=1 1 1 1:: .00504 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 11:NH2D_B3X0.lin 2 E+ 1 2 E+ 2 61832.858 61832.856 0.002 1.00000 :B A2 2 1 2 - X v=1 2 1 1:: .0016 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 12:NH2D_B3X0.lin 2 E- 2 1 E+ 1 61880.787 61880.795 -0.008 1.00000 :B A2 2 2 0 - X v=1 1 0 1:: .04373 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 13:NH2D_B3X0.lin 2 O- 1 0 O- 1 61889.507 61889.484 0.023 1.00000 :B A2 2 2 1 - X v=1 0 0 0:: .07481 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 14:NH2D_B3X0.lin 3 O+ 1 2 O- 1 61861.907 61861.858 0.049 1.00000 :B A2 3 0 3 - X v=1 2 0 2:: .00862 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 15:NH2D_B3X0.lin 3 O+ 1 2 O- 3 61844.168 61844.318 -0.150 1.00000 :B A2 3 0 3 - X v=1 2 2 0:: .00059 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 16:NH2D_B3X0.lin 3 E- 1 1 E- 1 61899.040 61898.941 0.099 1.00000 :B A2 3 1 2 - X v=1 1 1 1:: .00422 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 17:NH2D_B3X0.lin 3 O- 1 2 O+ 1 61860.088 61859.885 0.203 1.00000 :B A2 3 1 3 - X v=1 2 1 2:: .00342 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 18:NH2D_B3X0.lin 3 O+ 2 2 O- 1 61891.212 61891.145 0.067 1.00000 :B A2 3 2 1 - X v=1 2 0 2:: .00773 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 19:NH2D_B3X0.lin 3 E+ 1 1 E+ 1 61904.831 61904.829 0.002 1.00000 :B A2 3 2 2 - X v=1 1 0 1:: .04236 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 20:NH2D_B3X0.lin 3 E- 2 1 E- 1 61922.838 61922.847 -0.009 1.00000 :B A2 3 3 0 - X v=1 1 1 1:: .00941 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 21:NH2D_B3X0.lin 3 O- 2 1 O- 2 61920.023 61919.840 0.183 1.00000 :B A2 3 3 1 - X v=1 1 1 0:: .01364 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 22:NH2D_B3X0.lin 4 E- 1 3 E+ 1 61860.088 61860.092 -0.004 1.00000 :B A2 4 0 4 - X v=1 3 0 3:: .00286 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 23:NH2D_B3X0.lin 4 O+ 1 2 O+ 1 61915.611 61915.544 0.067 1.00000 :B A2 4 1 3 - X v=1 2 1 2:: .00239 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 24:NH2D_B3X0.lin 4 O- 1 2 O- 1 61918.092 61918.257 -0.165 1.00000 :B A2 4 2 3 - X v=1 2 0 2:: .01061 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 25:NH2D_B3X0.lin 4 E+ 2 2 E+ 2 61933.367 61933.368 -0.001 1.00000 :B A2 4 3 2 - X v=1 2 1 1:: .00265 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 26:NH2D_B3X0.lin 4 E- 4 2 E- 2 61949.240 61949.249 -0.009 1.00000 :B A2 4 4 0 - X v=1 2 2 1:: .00408 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 27:NH2D_B3X0.lin 4 O- 3 2 O- 3 61948.484 61948.551 -0.067 1.00000 :B A2 4 4 1 - X v=1 2 2 0:: .00427 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 28:NH2D_B3X0.lin 5 E+ 1 3 E+ 1 61930.107 61930.173 -0.066 1.00000 :B A2 5 2 4 - X v=1 3 0 3:: .00126 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 29:NH2D_B3X0.lin 0 E+ 1 2 E+ 2 61835.083 61834.858 0.225 1.00000 :B B1 0 0 0 - X v=1 2 1 1:: .00092 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 32:NH2D_B3X0.lin 1 O- 2 1 O- 2 61870.619 61870.401 0.218 1.00000 :B B1 1 0 1 - X v=1 1 1 0:: .00241 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 33:NH2D_B3X0.lin 1 O- 2 2 O+ 1 61851.855 61851.638 0.217 1.00000 :B B1 1 0 1 - X v=1 2 1 2:: .00098 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 34:NH2D_B3X0.lin 1 E+ 1 1 E+ 1 61878.673 61878.825 -0.152 1.00000 :B B1 1 1 0 - X v=1 1 0 1:: .01991 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 35:NH2D_B3X0.lin 1 E+ 1 2 E- 2 61839.920 61840.123 -0.203 1.00000 :B B1 1 1 0 - X v=1 2 2 1:: .00068 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 36:NH2D_B3X0.lin 1 O+ 2 2 O- 1 61856.715 61856.927 -0.212 1.00000 :B B1 1 1 1 - X v=1 2 0 2:: .00573 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 37:NH2D_B3X0.lin 1 O+ 2 2 O- 3 61839.050 61839.387 -0.337 1.00000 :B B1 1 1 1 - X v=1 2 2 0:: .00048 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 38:NH2D_B3X0.lin 2 E+ 2 1 E- 1 61894.732 61894.581 0.151 1.00000 :B B1 2 0 2 - X v=1 1 1 1:: .00415 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 39:NH2D_B3X0.lin 2 O- 2 0 O- 1 61913.480 61913.574 -0.094 1.00000 :B B1 2 1 1 - X v=1 0 0 0:: .02364 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 40:NH2D_B3X0.lin 2 O- 2 2 O- 3 61863.106 61863.254 -0.148 1.00000 :B B1 2 1 1 - X v=1 2 2 0:: .00132 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 41:NH2D_B3X0.lin 2 E+ 3 2 E+ 2 61883.561 61883.128 0.433 1.00000 :B B1 2 2 0 - X v=1 2 1 1:: .00084 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 42:NH2D_B3X0.lin 3 E+ 2 1 E+ 1 61936.909 61936.880 0.029 1.00000 :B B1 3 1 2 - X v=1 1 0 1:: .01494 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 43:NH2D_B3X0.lin 3 E+ 2 3 E+ 1 61883.561 61883.736 -0.175 1.00000 :B B1 3 1 2 - X v=1 3 0 3:: .00139 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 44:NH2D_B3X0.lin 3 O- 4 1 O- 2 61942.252 61942.295 -0.043 1.00000 :B B1 3 2 1 - X v=1 1 1 0:: .00218 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 45:NH2D_B3X0.lin 3 O+ 4 2 O- 1 61942.252 61942.289 -0.037 1.00000 :B B1 3 3 1 - X v=1 2 0 2:: .00115 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 46:NH2D_B3X0.lin 4 O- 2 2 O- 3 61942.252 61942.137 0.115 1.00000 :B B1 4 1 3 - X v=1 2 2 0:: .00055 : v3_063_NH2D_645.5-647_laser_corrected.dat - Overlays : 47:NH2D_B3X0.lin SVD fit: 40 Observations, 9 Parameters Initial Average Error: 0.167182919370595 Predicted New Error: 0.167182919370595 Parameters: # Old New Std Dev Change/Std Sens Summary Name 1 61848.1976613224 61848.1976613371 .09566397 0.0000 .002806 61848.198(96) B A2 Origin 2 8.44869933113164 8.44869932575502 .02398201 0.0000 .000519 8.449(24) B A2 A 3 6.08875933897265 6.08875933721902 .01833522 0.0000 .000626 6.089(18) B A2 B 4 4.07742875206726 4.07742875458055 .02010921 0.0000 .000366 4.077(20) B A2 C 5 61875.2632499060 61875.2632499012 .07448433 0.0000 .003098 61875.263(74) B B1 Origin 6 9.30013911059233 9.30013911295981 .02181178 0.0000 .001075 9.300(22) B B1 A 7 5.76757242173195 5.76757241995909 .01868884 0.0000 .000638 5.768(19) B B1 B 8 -6.81033560144634 -6.81033561425824 .07568504 0.0000 .001360 -6.810(76) B Value 9 .588880843905691 .588880830854852 .05190292 0.0000 .001215 0.589(52) B Value Constraints: NH3.NH2D.B.B1.C := NH3.NH2D.B.A2.C Correlation Matrix 1 2 3 4 5 6 7 8 9 1 1.000 2 -0.639 1.000 3 -0.508 0.269 1.000 4 0.167 -0.097 -0.101 1.000 5 -0.279 0.168 0.132 -0.405 1.000 6 0.314 -0.458 -0.236 0.056 -0.463 1.000 7 -0.103 0.002 -0.089 -0.733 -0.021 -0.007 1.000 8 -0.390 0.290 0.029 -0.900 0.419 -0.135 0.713 1.000 9 -0.524 0.885 0.432 -0.143 0.122 -0.419 0.046 0.296 1.000