Pgopher 8.0.323 02 Mar 2015 21:09 64 bit Unicode (Delphi 24/24) Mixture: NH2D_B4X0_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 A2 Kmin all Kmax all Origin 62759.2494840703 Float, Increment = 0.1 A 7.99528371156632 Float, Increment = 0.001 B 5.80973163922176 Float, Increment = 0.001 C 4.03061319436704 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 B1 Kmin all Kmax all Origin 62782.8684607307 Float, Increment = 0.1 A 8.88435382973285 Float, Increment = 0.001 B 5.64645743474699 Float, Increment = 0.001 C 4.03061319436704 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 -6.55452039467382 Float = K AsymmetricTopPerturbation: B Value 0.340988919884091 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 False ShowParts True ShowFortrat False UseUpper False ShowSymmetry True ShowDeltaJ True ScaleMarkSize True UseSymmetry False UseStateNumber False FortratQno J Fmin 62712.941805839 Fmax 62897.4038016363 Ymin 3.97798946694701E-10 Ymax 0.0487024752249549 Temperature 10 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 O+ 1 1 O+ 1 62758.917 62758.682 0.235 1.00000 :B A2 1 1 0 - X v=0 1 1 1:: .01008 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 6:NH2D_B4X0.lin 1 O+ 1 2 O- 2 62733.109 62733.045 0.064 1.00000 :B A2 1 1 0 - X v=0 2 1 1:: .00222 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 7:NH2D_B4X0.lin 1 E+ 1 1 E+ 2 62753.401 62753.321 0.080 1.00000 :B A2 1 1 1 - X v=0 1 1 0:: .01497 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 8:NH2D_B4X0.lin 2 O+ 1 1 O- 1 62771.847 62771.670 0.177 1.00000 :B A2 2 0 2 - X v=0 1 0 1:: .00198 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 9:NH2D_B4X0.lin 2 O+ 1 2 O+ 2 62733.109 62732.956 0.153 1.00000 :B A2 2 0 2 - X v=0 2 2 1:: .00224 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 10:NH2D_B4X0.lin 2 E- 1 1 E+ 2 62777.289 62777.158 0.131 1.00000 :B A2 2 1 1 - X v=0 1 1 0:: .00722 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 11:NH2D_B4X0.lin 2 E- 1 2 E- 1 62758.917 62758.399 0.518 1.00000 :B A2 2 1 1 - X v=0 2 1 2:: .00355 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 12:NH2D_B4X0.lin 2 O- 1 2 O- 2 62743.492 62743.304 0.188 1.00000 :B A2 2 1 2 - X v=0 2 1 1:: .00804 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 13:NH2D_B4X0.lin 2 O+ 2 1 O- 1 62790.065 62790.064 0.001 1.00000 :B A2 2 2 0 - X v=0 1 0 1:: .00825 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 14:NH2D_B4X0.lin 2 E+ 1 0 E+ 1 62798.614 62798.820 -0.206 1.00000 :B A2 2 2 1 - X v=0 0 0 0:: .01022 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 15:NH2D_B4X0.lin 3 E- 1 2 E+ 1 62771.847 62771.841 0.006 1.00000 :B A2 3 0 3 - X v=0 2 0 2:: .00318 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 16:NH2D_B4X0.lin 3 O+ 1 1 O+ 1 62808.082 62807.662 0.420 1.00000 :B A2 3 1 2 - X v=0 1 1 1:: .0088 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 17:NH2D_B4X0.lin 3 E+ 1 3 E+ 2 62729.420 62729.241 0.179 1.00000 :B A2 3 1 3 - X v=0 3 1 2:: .0027 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 18:NH2D_B4X0.lin 3 E- 2 2 E+ 1 62798.614 62799.288 -0.674 1.00000 :B A2 3 2 1 - X v=0 2 0 2:: .00333 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 19:NH2D_B4X0.lin 3 O+ 2 1 O+ 1 62830.172 62830.048 0.124 1.00000 :B A2 3 3 0 - X v=0 1 1 1:: .01833 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 20:NH2D_B4X0.lin 3 O+ 2 2 O- 2 62804.395 62804.410 -0.015 1.00000 :B A2 3 3 0 - X v=0 2 1 1:: .00704 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 21:NH2D_B4X0.lin 3 E+ 2 1 E+ 2 62826.926 62827.030 -0.104 1.00000 :B A2 3 3 1 - X v=0 1 1 0:: .02842 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 22:NH2D_B4X0.lin 3 E+ 2 2 E- 1 62808.990 62808.270 0.720 1.00000 :B A2 3 3 1 - X v=0 2 1 2:: .00224 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 23:NH2D_B4X0.lin 4 E- 1 2 E- 1 62823.399 62823.147 0.252 1.00000 :B A2 4 1 3 - X v=0 2 1 2:: .00913 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 24:NH2D_B4X0.lin 4 E+ 1 2 E+ 1 62825.833 62825.948 -0.115 1.00000 :B A2 4 2 3 - X v=0 2 0 2:: .00453 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 25:NH2D_B4X0.lin 4 E- 2 2 E- 1 62850.284 62849.806 0.478 1.00000 :B A2 4 3 1 - X v=0 2 1 2:: .00438 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 26:NH2D_B4X0.lin 4 O- 2 2 O- 2 62839.450 62839.721 -0.271 1.00000 :B A2 4 3 2 - X v=0 2 1 1:: .01338 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 27:NH2D_B4X0.lin 4 O+ 4 2 O+ 2 62853.519 62853.848 -0.329 1.00000 :B A2 4 4 0 - X v=0 2 2 1:: .0032 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 28:NH2D_B4X0.lin 4 E+ 3 2 E+ 3 62853.519 62853.248 0.271 1.00000 :B A2 4 4 1 - X v=0 2 2 0:: .00293 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 29:NH2D_B4X0.lin 5 E+ 2 3 E+ 2 62850.284 62850.491 -0.207 1.00000 :B A2 5 3 3 - X v=0 3 1 2:: .00435 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 30:NH2D_B4X0.lin 5 E- 4 3 E- 2 62869.008 62869.309 -0.301 1.00000 :B A2 5 4 1 - X v=0 3 2 2:: .00061 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 31:NH2D_B4X0.lin 5 O+ 4 3 O+ 3 62875.336 62875.221 0.115 1.00000 :B A2 5 5 0 - X v=0 3 3 1:: .00174 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 32:NH2D_B4X0.lin 5 E+ 5 3 E+ 4 62875.336 62875.074 0.262 1.00000 :B A2 5 5 1 - X v=0 3 3 0:: .00174 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 33:NH2D_B4X0.lin 1 E+ 2 1 E+ 2 62778.753 62778.315 0.438 1.00000 :B B1 1 0 1 - X v=0 1 1 0:: .00416 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 36:NH2D_B4X0.lin 1 O- 1 1 O- 1 62786.077 62786.298 -0.221 1.00000 :B B1 1 1 0 - X v=0 1 0 1:: .00377 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 37:NH2D_B4X0.lin 1 E- 2 2 E+ 1 62764.670 62764.528 0.142 1.00000 :B B1 1 1 1 - X v=0 2 0 2:: .00237 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 38:NH2D_B4X0.lin 2 O- 2 1 O+ 1 62802.754 62802.216 0.538 1.00000 :B B1 2 0 2 - X v=0 1 1 1:: .00841 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 39:NH2D_B4X0.lin 2 E+ 2 0 E+ 1 62820.764 62820.620 0.144 1.00000 :B B1 2 1 1 - X v=0 0 0 0:: .0023 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 40:NH2D_B4X0.lin 2 E+ 2 2 E+ 1 62787.481 62787.838 -0.357 1.00000 :B B1 2 1 1 - X v=0 2 0 2:: .00242 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 41:NH2D_B4X0.lin 2 O- 3 1 O+ 1 62814.874 62814.884 -0.010 1.00000 :B B1 2 2 0 - X v=0 1 1 1:: .00798 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 42:NH2D_B4X0.lin 2 O- 3 3 O+ 1 62764.670 62763.979 0.691 1.00000 :B B1 2 2 0 - X v=0 3 1 3:: .00127 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 43:NH2D_B4X0.lin 2 E- 2 1 E+ 2 62813.249 62813.254 -0.005 1.00000 :B B1 2 2 1 - X v=0 1 1 0:: .00333 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 44:NH2D_B4X0.lin 3 E+ 3 2 E- 1 62813.249 62813.881 -0.632 1.00000 :B B1 3 0 3 - X v=0 2 1 2:: .00461 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 45:NH2D_B4X0.lin 3 O- 2 1 O- 1 62842.444 62843.266 -0.822 1.00000 :B B1 3 1 2 - X v=0 1 0 1:: .00218 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 46:NH2D_B4X0.lin 3 E+ 4 1 E+ 2 62847.689 62847.368 0.321 1.00000 :B B1 3 2 1 - X v=0 1 1 0:: .00328 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 47:NH2D_B4X0.lin 3 E+ 4 2 E- 1 62828.183 62828.608 -0.425 1.00000 :B B1 3 2 1 - X v=0 2 1 2:: .00362 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 48:NH2D_B4X0.lin 3 O+ 3 3 O+ 1 62797.342 62798.054 -0.712 1.00000 :B B1 3 2 2 - X v=0 3 1 3:: .0038 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 49:NH2D_B4X0.lin 3 O- 3 2 O+ 2 62828.183 62829.054 -0.871 1.00000 :B B1 3 3 0 - X v=0 2 2 1:: .00137 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 50:NH2D_B4X0.lin 3 E- 4 2 E+ 3 62828.183 62828.564 -0.381 1.00000 :B B1 3 3 1 - X v=0 2 2 0:: .00113 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 51:NH2D_B4X0.lin 4 E+ 2 2 E+ 1 62865.661 62865.170 0.491 1.00000 :B B1 4 1 3 - X v=0 2 0 2:: .00106 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 52:NH2D_B4X0.lin 4 E+ 2 2 E+ 3 62847.689 62847.617 0.072 1.00000 :B B1 4 1 3 - X v=0 2 2 0:: .00096 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 53:NH2D_B4X0.lin 4 O- 4 2 O- 2 62867.662 62867.447 0.215 1.00000 :B B1 4 2 2 - X v=0 2 1 1:: .0027 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 54:NH2D_B4X0.lin 4 O- 4 3 O+ 1 62842.444 62842.180 0.264 1.00000 :B B1 4 2 2 - X v=0 3 1 3:: .00111 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 55:NH2D_B4X0.lin 4 O- 5 3 O+ 3 62842.444 62842.178 0.266 1.00000 :B B1 4 4 0 - X v=0 3 3 1:: .00093 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 56:NH2D_B4X0.lin 4 E- 4 3 E+ 4 62842.444 62842.081 0.363 1.00000 :B B1 4 4 1 - X v=0 3 3 0:: .0009 : v4_015_NH2D_636-637.7_laser_corrected.dat - Overlays : 57:NH2D_B4X0.lin 1 O+ 1 1 O+ 1 62758.512 62758.682 -0.170 1.00000 :B A2 1 1 0 - X v=0 1 1 1:: .0149 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 62:NH2D_B4X0.lin 1 E+ 1 1 E+ 2 62753.003 62753.321 -0.318 1.00000 :B A2 1 1 1 - X v=0 1 1 0:: .01809 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 63:NH2D_B4X0.lin 2 O+ 1 1 O- 1 62771.551 62771.670 -0.119 1.00000 :B A2 2 0 2 - X v=0 1 0 1:: .00404 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 64:NH2D_B4X0.lin 2 E- 1 1 E+ 2 62777.213 62777.158 0.055 1.00000 :B A2 2 1 1 - X v=0 1 1 0:: .00888 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 65:NH2D_B4X0.lin 2 O- 1 1 O+ 1 62768.769 62768.942 -0.173 1.00000 :B A2 2 1 2 - X v=0 1 1 1:: .01698 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 66:NH2D_B4X0.lin 2 O- 1 2 O- 2 62743.002 62743.304 -0.302 1.00000 :B A2 2 1 2 - X v=0 2 1 1:: .00074 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 67:NH2D_B4X0.lin 2 O+ 2 1 O- 1 62790.086 62790.064 0.022 1.00000 :B A2 2 2 0 - X v=0 1 0 1:: .01279 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 68:NH2D_B4X0.lin 2 E+ 1 0 E+ 1 62798.571 62798.820 -0.249 1.00000 :B A2 2 2 1 - X v=0 0 0 0:: .10129 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 69:NH2D_B4X0.lin 3 O+ 1 1 O+ 1 62807.733 62807.662 0.071 1.00000 :B A2 3 1 2 - X v=0 1 1 1:: .00881 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 70:NH2D_B4X0.lin 3 O- 1 1 O- 1 62813.117 62813.421 -0.304 1.00000 :B A2 3 2 2 - X v=0 1 0 1:: .01302 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 71:NH2D_B4X0.lin 3 O+ 2 1 O+ 1 62829.783 62830.048 -0.265 1.00000 :B A2 3 3 0 - X v=0 1 1 1:: .01685 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 72:NH2D_B4X0.lin 3 E+ 2 1 E+ 2 62826.608 62827.030 -0.422 1.00000 :B A2 3 3 1 - X v=0 1 1 0:: .02014 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 73:NH2D_B4X0.lin 1 E+ 2 1 E+ 2 62778.759 62778.315 0.444 1.00000 :B B1 1 0 1 - X v=0 1 1 0:: .00514 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 76:NH2D_B4X0.lin 1 O- 1 1 O- 1 62785.988 62786.298 -0.310 1.00000 :B B1 1 1 0 - X v=0 1 0 1:: .00587 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 77:NH2D_B4X0.lin 2 O- 2 1 O+ 1 62802.758 62802.216 0.542 1.00000 :B B1 2 0 2 - X v=0 1 1 1:: .00837 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 78:NH2D_B4X0.lin 2 E+ 2 0 E+ 1 62820.456 62820.620 -0.164 1.00000 :B B1 2 1 1 - X v=0 0 0 0:: .02376 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 79:NH2D_B4X0.lin 3 O- 2 1 O- 1 62843.224 62843.266 -0.042 1.00000 :B B1 3 1 2 - X v=0 1 0 1:: .00483 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 81:NH2D_B4X0.lin 3 E+ 4 1 E+ 2 62846.757 62847.368 -0.611 1.00000 :B B1 3 2 1 - X v=0 1 1 0:: .00433 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 82:NH2D_B4X0.lin 3 O+ 3 1 O+ 1 62849.612 62848.959 0.653 1.00000 :B B1 3 2 2 - X v=0 1 1 1:: .00288 : V4_007_NH2D_v4_636.3-637.6_taken_gautam_laser_corrected.dat - Overlays : 83:NH2D_B4X0.lin SVD fit: 69 Observations, 9 Parameters Initial Average Error: 0.388711260793223 Predicted New Error: 0.388711260793221 Parameters: # Old New Std Dev Change/Std Sens Summary Name 1 62759.2494840703 62759.2494839989 .15157128 0.0000 .006426 62759.25(15) B A2 Origin 2 7.99528371156632 7.99528373130233 .02726911 0.0000 .000880 7.995(27) B A2 A 3 5.80973163922176 5.80973165259539 .02774530 0.0000 .001259 5.810(28) B A2 B 4 4.03061319436704 4.03061319302950 .03050176 0.0000 .001259 4.031(31) B A2 C 5 62782.8684607307 62782.8684607492 .16027238 0.0000 .007347 62782.87(16) B B1 Origin 6 8.88435382973285 8.88435382239945 .02059783 0.0000 .001275 8.884(21) B B1 A 7 5.64645743474699 5.64645742892530 .02772614 0.0000 .001266 5.646(28) B B1 B 8 -6.55452039467382 -6.55452037562557 .08336794 0.0000 .003996 -6.555(83) B Value 9 .340988919884091 .340988984909325 .07637443 0.0000 .002552 0.341(76) 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 -0.626 1.000 3 -0.534 0.323 1.000 4 -0.086 0.060 -0.219 1.000 5 -0.242 0.142 0.174 -0.377 1.000 6 0.339 -0.434 -0.268 0.076 -0.561 1.000 7 0.164 -0.314 -0.132 -0.563 -0.211 0.176 1.000 8 -0.344 0.195 0.103 -0.604 0.416 -0.189 0.458 1.000 9 -0.537 0.855 0.551 -0.025 0.114 -0.410 -0.265 0.227 1.000