Initialization

Needs["MaTeX`"];
SetOptions[MaTeX,"Preamble"->{"\\usepackage{amssymb,amsmath,latexsym,amsfonts,amsthm,mathpazo,xcolor,bm,mhchem,physics}"}];

SetDirectory["~/Work/bse/sfBSE/output/H2/TDDFT"];

Graphs for (Subscript[H, 2])

Plots

SetDirectory["~/Work/bse/sfBSE/output/H2/EOM-CCSD"];
states = {Import["eom_cssd_first_excitation","List"]*0.037+ Import["h2_energy_rhf","List"],Import["eom_cssd_second_excitation","List"]*0.037+ Import["h2_energy_rhf","List"],Import["eom_cssd_third_excitation","List"]*0.037+ Import["h2_energy_rhf","List"],Import["eom_cssd_fourth_excitation","List"]*0.037+ Import["h2_energy_rhf","List"],
Import["eom_cssd_fifth_excitation","List"]*0.037+ Import["h2_energy_rhf","List"],
Import["eom_cssd_sixth_excitation","List"]*0.037+ Import["h2_energy_rhf","List"],
Import["eom_cssd_seventh_excitation","List"]*0.037+ Import["h2_energy_rhf","List"],
Import["eom_cssd_eighth_excitation","List"]*0.037+ Import["h2_energy_rhf","List"],
Import["eom_cssd_ninth_excitation","List"]*0.037+ Import["h2_energy_rhf","List"],
Import["eom_cssd_tenth_excitation","List"]*0.037+ Import["h2_energy_rhf","List"]} ;
ListPlot[Table[Table[{coord[[k]],states[[l,k]]},{k,1,Length[states[[1,;;]]]}],{l,10}],PlotRange->{{0.3,4},{-1.1,0.1}},ImageSize->800,Joined->True];

SetDirectory["~/Work/bse/sfBSE/output/H2/EOM-CCSD"];

excitation = {Import["eom_cssd_first_excitation","List"],Import["eom_cssd_second_excitation","List"],Import["eom_cssd_third_excitation","List"],Import["eom_cssd_fourth_excitation","List"],
Import["eom_cssd_fifth_excitation","List"],
Import["eom_cssd_sixth_excitation","List"],
Import["eom_cssd_seventh_excitation","List"],
Import["eom_cssd_eighth_excitation","List"],
Import["eom_cssd_ninth_excitation","List"],
Import["eom_cssd_tenth_excitation","List"]} ;
ListPlot[Table[Table[{coord[[k]],excitation[[l,k]]},{k,1,Length[excitation[[1,;;]]]}],{l,10}],PlotRange->{{0.3,4},{0,35}},ImageSize->800,Joined->True];

BSE / SF-BSE

coord={0.5`,0.55`,0.6`,0.65`,0.7`,0.75`,0.8`,0.85`,0.9`,0.95`,1.`,1.05`,1.1`,1.15`,1.2`,1.25`,1.3`,1.35`,1.4`,1.45`,1.5`,1.55`,1.6`,1.65`,1.7`,1.75`,1.8`,1.85`,1.9`,1.95`,2.`,2.05`,2.1`,2.15`,2.2`,2.25`,2.3`,2.35`,2.4`,2.45`,2.5`,2.55`,2.6`,2.65`,2.7`,2.75`,2.8`,2.85`,2.9`,2.95`,3.`,3.05`,3.1`,3.15`,3.2`,3.25`,3.3`,3.35`,3.4`,3.45`,3.5`,3.55`,3.6`,3.65`,3.7`,3.75`,3.8`,3.85`,3.9`,3.95`,4.`};

eom= {{15.7032`,15.1429`,14.6096`,14.1023`,13.6213`,13.1659`,12.7345`,12.3257`,11.9382`,11.5712`,11.2239`,10.8959`,10.5866`,10.2958`,10.023`,9.768`,9.5306`,9.3105`,9.1076`,8.9217`,8.7525`,8.5998`,8.4631`,8.3421`,8.2361`,8.1446`,8.0669`,8.0025`,7.9505`,7.9103`,7.881`,7.862`,7.8523`,7.8513`,7.8581`,7.872`,7.8923`,7.9183`,7.9492`,7.9846`,8.0239`,8.0666`,8.1122`,8.1603`,8.2105`,8.2626`,8.3162`,8.371`,8.4269`,8.4835`,8.5408`,8.5985`,8.6564`,8.7145`,8.7726`,8.8306`,8.8884`,8.9458`,9.003`,9.0597`,9.1159`,9.1715`,9.2265`,9.281`,9.3347`,9.3877`,9.4401`,9.4916`,9.5424`,9.5923`,9.6415`}};

eom1={{17.1259`,16.7368`,16.3804`,16.0557`,15.7604`,15.4911`,15.2443`,15.0173`,14.8082`,14.6152`,14.4366`,14.2703`,14.1135`,13.9623`,13.8107`,13.6482`,13.4556`,13.2006`,12.8531`}};

eom2= {{12.8531`,12.427`,11.9705`,11.5207`,11.096`,10.704`,10.3471`,10.0256`,9.7387`,9.4847`,9.2619`,9.0683`,8.9019`,8.7605`,8.642`,8.5445`,8.4659`,8.4045`,8.3583`,8.3258`,8.3054`,8.2958`,8.2956`,8.3036`,8.319`,8.3406`,8.3677`,8.3996`,8.4355`,8.4749`,8.5173`,8.5621`,8.6091`,8.6578`,8.7079`,8.7591`,8.8112`,8.864`,8.9172`,8.9707`,9.0243`,9.0779`,9.1315`,9.1848`,9.2378`,9.2905`,9.3427`,9.3944`,9.4455`,9.4961`,9.546`,9.5952`,9.6437`}};

eom3={{29.9966`,29.3567`,28.6078`,27.831`,27.0112`,26.1149`,25.1141`,24.0176`,22.8688`,21.7154`,20.5913`,19.5163`,18.5015`,17.6072`,16.6802`,15.8898`,15.2002`,14.6414`,14.241`}};

eom4={{14.241`,13.9823`,13.814`,13.6959`,13.6063`,13.5346`,13.4752`,13.4251`,13.3828`,13.3471,13.3172`,13.2924`,13.2718`,13.2545`,13.2393`,13.2254`,13.2122`,13.1994`,13.1869`,13.175`,13.1639`,13.154`,13.1454`,13.1383`,13.1327`,13.1284`,13.1251`,13.1225`,13.1202`,13.1177`,13.1147`,13.1108`,13.1057`,13.099`,13.0906`,13.0806`,13.0689`,13.0555`,13.0408`,13.0249`,13.008`,12.9903`,12.9722`,12.9538`,12.9352`,12.9168`,12.8987`,12.8808`,12.8634`,12.8466`,12.8303`,12.8146`,12.7997`}};

bseuhf = {{15.535266`,15.135966`,14.766536`,14.428504`,14.107831`,13.659732`,13.23648`,12.831162`,12.444179`,12.074727`,11.722369`,11.386804`,11.06772`,10.764958`,10.477329`,9.974916`,9.469594`,9.064402`,8.742688`,8.49143`,8.29879`,8.156307`,8.05429`,7.986153`,7.945748`,7.927887`,7.928221`,7.943162`,7.969745`,8.005535`,8.048635`,8.097465`,8.150834`,8.207627`,8.267106`,8.328539`,8.391394`,8.455231`,8.519693`,8.584506`,8.649461`,8.714391`,8.779187`,8.843754`,8.908013`,8.971896`,9.035316`,9.0982`,9.160463`,9.222079`,9.283046`,9.343389`,9.403152`,9.462369`,9.521062`,9.579238`,9.636891`,9.694011`,9.750581`,9.806584`,9.861991`,9.916796`,9.970975`,10.024516`,10.077396`,10.129604`,10.181124`,10.231942`,10.282053`,10.331438`,10.380091`}};

bseuhf1 = {{16.135246`,15.5916`,15.072529`,14.577957`,14.120362`,13.842246`,13.59113`,13.349506`,13.125508`,12.920596`,12.733267`,12.561866`,12.409825`,12.266741`,12.13231`,12.111626`,12.139163`,12.172095`,12.211158`,12.2556`,12.299942`,12.349037`,12.394627`,12.439117`,12.482042`,12.523424`,12.563446`,12.602451`,12.640608`,12.677386`,12.713735`,12.748856`,12.783254`,12.814509`,12.845186`,12.873648`,12.900623`,12.92628`,12.950669`,12.97349`,12.996632`,13.019365`,13.041567`,13.063259`,13.084241`,13.104189`,13.122686`,13.139299`,13.153591`,13.165297`,13.174194`,13.180091`,13.183065`,13.183223`,13.180738`,13.175856`,13.168866`,13.160085`,13.149844`,13.138478`,13.126211`,13.113385`,13.100159`,13.086809`,13.07345`,13.060239`,13.047318`,13.034688`,13.022645`,13.010913`,12.999677`}};

sfbse = {{16.208376`,15.60456`,14.952777`,14.292296`,13.758952`,13.332588`,12.920092`,12.522041000000002`,12.141309`,11.779188999999999`,11.434345`,11.108245`,10.802890999999999`,10.517192000000001`,10.245622999999998`,9.992199`,9.756286`,9.537822`,9.335927`,9.151537999999999`,8.983595000000001`,8.831653`,8.695727`,8.573611999999999`,8.467485`,8.375366`,8.296376`,8.229719`,8.174853`,8.13478`,8.099077`,8.077228`,8.064509000000001`,8.060158`,8.063207`,8.073089999999999`,8.089322`,8.111769`,8.137326`,8.16837`,8.203522999999999`,8.242142`,8.283774`,8.327933`,8.374298`,8.422614000000001`,8.473030999999999`,8.524117`,8.576243`,8.628961`,8.681899`,8.734893`,8.787865`,8.840739000000001`,8.893453`,8.945997`,8.998308999999999`,9.051079`,9.103291`,9.155339999999999`,9.20585`,9.255659`,9.305481`,9.355229999999999`,9.404824999999999`,9.454188`,9.503266`,9.55199`,9.600314`,9.648189`,9.695575`}};

sfbse1 = {{16.025652`,15.60456`,15.206044`,14.828738000000001`,14.46926`,14.133659`,13.823730000000001`,13.540407000000002`,13.283953`,13.053942`,12.849271`,12.667294`,12.507178`,12.366056`,12.241482`,12.126449000000001`,12.022615000000002`,11.924441999999999`,11.820747`,11.702053`,11.554234999999998`,11.357408`,11.104502`}};

sfbse2 = {{11.104502`,10.816771999999998`,10.519732`,10.233592999999999`,9.967848`,9.726365`,9.510133`,9.319329999999999`,9.152005`,9.008029`,8.885386`,8.782465`,8.697728`,8.629406`,8.576067`,8.536512`,8.507684999999999`,8.490329`,8.48268`,8.483552`,8.491923`,8.506798999999999`,8.527396`,8.553026000000001`,8.5834`,8.616958`,8.653684`,8.692938`,8.734175`,8.777062`,8.821359`,8.866839`,8.913288999999999`,8.960557`,9.008450999999999`,9.057490999999999`,9.106631`,9.156145`,9.207113999999999`,9.258597`,9.309753`,9.360546999999999`,9.410941`,9.460891`,9.510381`,9.559367`,9.607827`,9.655736000000001`,9.703069`}};

sfbse3= {{29.398034000000003`,28.726195`,28.044489`,27.360522,26.668025999999998`,25.936897000000002`,25.100713`,24.112033`,23.003658`,21.85523`,20.72454`,19.6682`,18.642626`,17.685062000000002`,16.775545`,15.942618`,15.185455000000001`,14.504147999999999`,13.883774`,13.338804`,12.889056`,12.545318`,12.310389999999998`}};

sfbse4={{12.310389999999998`,12.160345999999999`,12.06564`,12.003448`,11.961651999999999`,11.933935`,11.916455000000001`,11.904384`,11.901889`,11.900995`,11.902735000000002`,11.905885999999999`,11.908143`,11.910037999999998`,11.911378`,11.912079`,11.915253`,11.917205`,11.919291`,11.921546`,11.924057999999999`,11.926798`,11.929617`,11.932039`,11.933122`,11.934099999999999`,11.933860000000001`,11.932475`,11.929936`,11.926014`,11.920568`,11.913539`,11.904974`,11.895044`,11.883982999999999`,11.870816999999999`,11.857361000000001`,11.843256`,11.828824`,11.814212`,11.799576`,11.785053`,11.770748`,11.756748`,11.743109`,11.729873`,11.717063`,11.704689`,11.692755`}}; 



EOM= ListPlot[Table[Table[{coord[[k]],eom[[l,k]]},{k,1,Length[eom[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red]},PlotLegends->Placed[ {MaTeX["\\text{B}~{}^1 \\Sigma_u^+",FontSize->24]},{Right,Top}],PlotRange->All];

EOM1= ListPlot[Table[Table[{coord[[k]],eom1[[l,k]]},{k,1,Length[eom1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black]},PlotLegends->Placed[ {MaTeX["\\text{E}~{}^1 \\Sigma_g^+ ",FontSize->24]},{Right,Top}],PlotRange->All];
EOM2= ListPlot[Table[Table[{coord[[k+18]],eom2[[l,k]]},{k,1,Length[eom2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue]},PlotLegends->Placed[ {MaTeX["\\text{F}~{}^1 \\Sigma_g^+",FontSize->24]},{Right,Top}],PlotRange->All];
EOM3= ListPlot[Table[Table[{coord[[k]],eom3[[l,k]]},{k,1,Length[eom3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue]},PlotRange->All];
EOM4= ListPlot[Table[Table[{coord[[k+18]],eom4[[l,k]]},{k,1,Length[eom4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black]},PlotRange->All];

BSEUHF = ListPlot[Table[Table[{coord[[k]],bseuhf[[l,k]]},{k,1,Length[bseuhf[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dotted]},PlotRange->All]; 
BSEUHF1= ListPlot[Table[Table[{coord[[k]],bseuhf1[[l,k]]},{k,1,Length[bseuhf1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dotted]},PlotRange->All]; 

SFBSE= ListPlot[Table[Table[{coord[[k]],sfbse[[l,k]]},{k,1,Length[sfbse[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Red,Dashed]},PlotRange->All];
SFBSE1= ListPlot[Table[Table[{coord[[k]],sfbse1[[l,k]]},{k,1,Length[sfbse1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Black,Dashed]},PlotRange->All];
SFBSE2= ListPlot[Table[Table[{coord[[k+22]],sfbse2[[l,k]]},{k,1,Length[sfbse2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFBSE3= ListPlot[Table[Table[{coord[[k]],sfbse3[[l,k]]},{k,1,Length[sfbse3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];
SFBSE4= ListPlot[Table[Table[{coord[[k+22]],sfbse4[[l,k]]},{k,1,Length[sfbse4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Black,Dashed]},PlotRange->All];



Show[
{EOM,EOM1,EOM2,EOM3,EOM4,SFBSE,SFBSE1,SFBSE2,SFBSE3,SFBSE4,BSEUHF,BSEUHF1},
Frame->True,
PlotLabel-> MaTeX["\\text{(SF-)BSE@G}_0\\text{W}_0 ~\\text{vs EOM-CCSD}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\Delta E \\text{ (\\ce{H-H})  (eV)}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{6,31}}]

SF-BSE dynamic

sfBSEdynamic ={{16.2841,15.33663`,14.672,14.007,13.5237,13.1923,12.8625,12.5348,12.213,11.8996,11.5951,11.3024,11.0252,10.7632,10.5113,10.2755,10.0552,9.85097,9.6623,9.49071,9.33492,9.19454,9.06973,8.95798,8.86222,8.78006,8.71052,8.65274,8.60621,8.57509,8.54589,8.53131,8.52536,8.52729,8.53612,8.5513,8.57243,8.59952,8.62869,8.66331,8.70176,8.74337,8.78769,8.83421,8.88269,8.93291,8.98518,9.03775,9.09121,9.1451,9.19903,9.25285,9.30653,9.35999,9.41317,9.46608,9.51865,9.57182,9.62424,9.67647,9.72099,9.77134,9.82165,9.87183,9.92181,9.97151,10.0209,10.0699,10.1185,10.1666,10.2142}};

sfBSEdynamic1 ={{16.2841,15.8878,15.514733`,15.1608`,14.819647`,14.497276`,14.195606999999999`,13.916127`,13.659844`,13.427156`,13.217747`,13.029468`,12.862427`,12.713799`,12.581364`,12.457528`,12.3442`,12.235045`,12.117463`,11.980879`,11.812179`,11.598139999999999`,11.341714999999999`}};

sfBSEdynamic2={{11.341714999999999`,11.064675`,10.784919`,10.517768`,10.270781`,10.047183`,9.847792`,9.673167999999999`,9.520297999999999`,9.390238`,9.280535`,9.189591`,9.115941`,9.057801`,9.013824`,8.982935`,8.961536`,8.95114`,8.949833`,8.956442000000001`,8.969987`,8.989476999999999`,9.014207`,9.043543`,9.077377`,9.113879`,9.153256`,9.194872`,9.238178`,9.282879000000001`,9.328781000000001`,9.375677999999999`,9.423363`,9.471708999999999`,9.520524`,9.570554`,9.620458`,9.670669`,9.728384`,9.779971999999999`,9.831205`,9.882052999999999`,9.932483000000001`,9.982451`,10.031947`,10.08093`,10.129381`,10.177275`,10.224591`}};

sfBSEdynamic3={{29.582631`,28.923213`,28.24902`,27.557391000000003`,26.901593`,26.147731`,25.267547999999998`,24.233258999999997`,23.102671`,21.95497`,20.836653`,19.800126`,18.790489`,17.849769`,16.957314`,16.143157000000002`,15.406517000000001`,14.788362`,14.154060000000001`,13.63981`,13.224858`,12.912771`,12.696215`}};

sfBSEdynamic4={{12.696215`,12.550625`,12.454336999999999`,12.388932`,12.343968`,12.313528`,12.293833000000001`,12.280598999999999`,12.276238`,12.274439999999998`,12.275522`,12.278216`,12.280014`,12.281532`,12.282585999999998`,12.283113`,12.286044`,12.268078000000001`,12.289689000000001`,12.291693`,12.293923`,12.296358999999999`,12.298888000000002`,12.301044`,12.301923`,12.302735`,12.302395`,12.300972`,12.298442`,12.294558`,12.289174000000001`,12.282219999999999`,12.273739`,12.263905`,12.252949`,12.239897`,12.22655`,12.212556000000001`,12.198232`,12.183719`,12.16917`,12.154714`,12.140459000000002`,12.126487000000001`,12.112854`,12.099601`,12.08675`,12.074309999999999`,12.062286`}};

bsedynamic = {{16.101411`,15.555295`,15.033945`,14.537173`,14.064908`,13.614924`,13.189439`,12.782291`,12.39367`,12.022774`,11.669164`,11.332545`,11.01263`,10.709268`,10.421357`,9.916441`,9.415424`,9.019273`,8.707482`,8.465426`,8.280506`,8.143962`,8.046348`,7.981085`,7.942264`,7.924925`,7.925151`,7.939426`,7.96495`,7.999636`,8.041341`,8.088732`,8.140944`,8.196429`,8.254948`,8.315299`,8.377461`,8.440728`,8.504512`,8.569036`,8.633818`,8.69867`,8.763247`,8.827957`,8.892428`,8.956577`,9.020305`,9.083527`,9.146147`,9.208132`,9.269283`,9.330027`,9.39019`,9.449807`,9.508896`,9.567463`,9.625499`,9.682992`,9.739924`,9.796277`,9.852019`,9.907147`,9.961635`,10.015474`,10.068642`,10.121126`,10.172914`,10.22399`,10.274188`,10.323821`,10.372714`}};

bsedynamic1 = {{15.418144`,15.017991`,14.647502`,14.308584`,13.999758`,13.721668`,13.471287`,13.228796`,13.003806`,12.798197`,12.610434`,12.438769`,12.287456`,12.144571`,12.009957`,11.994447`,12.022214`,12.051255`,12.084977`,12.124025`,12.162707`,12.207753`,12.249641`,12.291453`,12.332792`,12.373543`,12.41387`,12.453886`,12.49363`,12.532255`,12.570856`,12.608336`,12.645442`,12.678981`,12.712396`,12.743395`,12.772993`,12.801214`,12.827953`,12.852865`,12.878196`,12.902979`,12.926998`,12.950438`,12.973051`,12.994529`,13.01446`,13.032423`,13.047988`,13.060912`,13.070952`,13.077964`,13.082011`,13.083201`,13.081705`,13.077767`,13.071671`,13.063732`,13.054281`,13.043653`,13.032072`,13.019883`,13.007239`,12.994424`,12.981546`,12.968766`,12.956237`,12.943942`,12.932214`,12.920738`,12.909719`}};

BSEdynamic= ListPlot[Table[Table[{coord[[k]],bsedynamic[[l,k]]},{k,1,Length[bsedynamic[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dotted]},PlotRange->All];

BSEdynamic1= ListPlot[Table[Table[{coord[[k]],bsedynamic1[[l,k]]},{k,1,Length[bsedynamic1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dotted]},PlotRange->All];

SFBSEdynamic= ListPlot[Table[Table[{coord[[k]],sfBSEdynamic[[l,k]]},{k,1,Length[sfBSEdynamic[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dashed]},PlotRange->All];
SFBSEdynamic1= ListPlot[Table[Table[{coord[[k]],sfBSEdynamic1[[l,k]]},{k,1,Length[sfBSEdynamic1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

SFBSEdynamic2= ListPlot[Table[Table[{coord[[k+22]],sfBSEdynamic2[[l,k]]},{k,1,Length[sfBSEdynamic2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFBSEdynamic3= ListPlot[Table[Table[{coord[[k]],sfBSEdynamic3[[l,k]]},{k,1,Length[sfBSEdynamic3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFBSEdynamic4= ListPlot[Table[Table[{coord[[k+22]],sfBSEdynamic4[[l,k]]},{k,1,Length[sfBSEdynamic4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

Show[
{SFBSEdynamic,SFBSEdynamic1,SFBSEdynamic2,SFBSEdynamic3,SFBSEdynamic4,EOM,EOM1,EOM2,EOM3,EOM4,BSEdynamic,BSEdynamic1},
Frame->True,
PlotLabel-> MaTeX["\\text{(SF-)dBSE@G}_0\\text{W}_0 ~\\text{vs EOM-CCSD}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\Delta E \\text{ (\\ce{H-H})  (eV)}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{6,31}}]

SF-CIS / CIS

sfcis = {{14.828700000000001`,14.428`,14.0566`,13.71`,13.385`,13.0777`,12.7841`,12.5015`,12.2283`,11.9643`,11.71`,11.4659`,11.2329`,11.0119`,10.8035`,10.6083`,10.4268`,10.2594`,10.106300000000001`,9.9675`,9.8431`,9.732800000000001`,9.6364`,9.5533`,9.4831`,9.424999999999999`,9.378599999999999`,9.342799999999999`,9.3173`,9.3011`,9.2934`,9.2936`,9.3009`,9.314699999999998`,9.334200000000001`,9.3588`,9.3878`,9.4208`,9.4572`,9.496500000000001`,9.5384`,9.5825`,9.6283`,9.6758`,9.7245`,9.7743`,9.825000000000001`,9.876299999999999`,9.928099999999999`,9.9804`,10.0329`,10.085700000000001`,10.138599999999999`,10.1914`,10.2443`,10.296000000000001`,10.3454`,10.3951`,10.445099999999998`,10.4954`,10.5456`,10.5959`,10.646099999999999`,10.6961`,10.7459`,10.795399999999999`,10.8446`,10.893500000000001`,10.942`,10.99`,11.0376`}};

sfcis1={{15.2792`,14.970600000000001`,14.6941`,14.4473`,14.226899999999999`,14.0289`,13.849400000000001`,13.685500000000001`,13.5354`,13.398`,13.2725`,13.158100000000001`,13.0535`,12.9579`,12.8692`,12.7855`,12.703800000000001`,12.6197`,12.526`,12.4116`,12.2622`,12.067`,11.8312`}};

sfcis2={{11.8312`,11.575199999999999`,11.3195`,11.0772`,10.8552`,10.6561`,10.4805`,10.3279`,10.1971`,10.086599999999999`,9.9949`,9.920399999999999`,9.861500000000001`,9.8165`,9.7841`,9.762799999999999`,9.7515`,9.748800000000001`,9.7538`,9.7655`,9.783`,9.8058`,9.8329`,9.863900000000001`,9.8983`,9.9354`,9.9751`,10.0168`,10.0603`,10.1054`,10.1516`,10.199`,10.2471`,10.2971`,10.3497`,10.402`,10.454199999999998`,10.506`,10.557599999999999`,10.6088`,10.659699999999999`,10.7101`,10.7602`,10.8098`,10.8589`,10.9076`,10.9558`,11.003400000000001`,11.0506`}};

sfcis3={{28.7256`,28.136400000000002`,27.528100000000002`,26.9085`,26.2701`,25.5821`,24.8007`,23.901`,22.9055`,21.8671`,20.8335`,19.8342`,18.8848`,17.9934`,17.1639`,16.398899999999998`,15.700299999999999`,15.0711`,14.5158`,14.0426`,13.6631`,13.3845`,13.1981`}};

sfcis4={{13.1981`,13.08`,13.0063`,12.9606`,12.9333`,12.9186`,12.9133`,12.915000000000001`,12.9216`,12.9316`,12.943299999999999`,12.955599999999999`,12.967500000000001`,12.9784`,12.9882`,12.997`,13.0051`,12.999600000000001`,12.9866`,12.9773`,12.9714`,12.9684`,12.9678`,12.9692`,12.9719`,12.975399999999999`,12.979199999999999`,12.9828`,12.9858`,12.988`,12.9889`,12.9884`,12.9865`,12.9833`,12.9786`,12.9726`,12.965599999999998`,12.9576`,12.9489`,12.9396`,12.9298`,12.9198`,12.9095`,12.8992`,12.8888`,12.878400000000001`,12.8682`,12.858`,12.847999999999999`}};

cis={{15.941707`,15.352842`,14.791088`,14.255224`,13.745456`,13.261115`,12.800439`,12.361626`,11.943193`,11.544004`,11.163173`,10.799954`,10.453679`,10.123738`,9.809581`,9.548952`,9.368467`,9.232554`,9.127786`,9.047057`,8.985915`,8.941227`,8.910579`,8.89201`,8.883877`,8.88479`,8.893562`,8.909173`,8.930745`,8.957514`,8.988813`,9.024054`,9.062715`,9.104329`,9.148472`,9.19477`,9.242893`,9.292546`,9.343482`,9.395483`,9.448358`,9.501951`,9.556118`,9.610739`,9.665706`,9.720929`,9.776328`,9.831833`,9.887381`,9.942917`,9.998391`,10.053755`,10.108969`,10.163992`,10.218787`,10.273318`,10.327555`,10.381467`,10.435029`,10.488217`,10.541006`,10.593378`,10.645312`,10.696788`,10.74779`,10.798299`,10.848299`,10.897773`,10.946708`,10.995088`,11.042898`}};

cis2 = {{17.397921`,16.971703`,16.579463`,16.220222`,15.891444`,15.589669`,15.311396`,15.053852`,14.815168`,14.594049`,14.389378`,14.200012`,14.02474`,13.862324`,13.711572`,13.522546`,13.400974`,13.321124`,13.262496`,13.216911`,13.180221`,13.150008`,13.124732`,13.103384`,13.085325`,13.070187`,13.057776`,13.047979`,13.040682`,13.03569`,13.032688`,13.031231`,13.030793`,13.030863`,13.031042`,13.031111`,13.031036`,13.030934`,13.031004`,13.031461`,13.032484`,13.034179`,13.03656`,13.039545`,13.042962`,13.046568`,13.050073`,13.053163`,13.055528`,13.056884`,13.056995`,13.055684`,13.052847`,13.04845`,13.042529`,13.035181`,13.026548`,13.016802`,13.006136`,12.994744`,12.982811`,12.970512`,12.957997`,12.945395`,12.932814`,12.920335`,12.908023`,12.895924`,12.884069`,12.872478`,12.861162`}};

CIS = ListPlot[Table[Table[{coord[[k]],cis[[l,k]]},{k,1,Length[cis[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dotted]},PlotRange->All]; 

CIS1 = ListPlot[Table[Table[{coord[[k]],cis1[[l,k]]},{k,1,Length[cis1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dotted]},PlotRange->All]; 

CIS2 = ListPlot[Table[Table[{coord[[k]],cis2[[l,k]]},{k,1,Length[cis2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dotted]},PlotRange->All]; 

SFCIS= ListPlot[Table[Table[{coord[[k]],sfcis[[l,k]]},{k,1,Length[sfcis[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dashed]},PlotRange->All];

SFCIS1= ListPlot[Table[Table[{coord[[k]],sfcis1[[l,k]]},{k,1,Length[sfcis1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

SFCIS2= ListPlot[Table[Table[{coord[[k+22]],sfcis2[[l,k]]},{k,1,Length[sfcis2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFCIS3= ListPlot[Table[Table[{coord[[k]],sfcis3[[l,k]]},{k,1,Length[sfcis3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFCIS4= ListPlot[Table[Table[{coord[[k+22]],sfcis4[[l,k]]},{k,1,Length[sfcis4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

Show[
{EOM,EOM1,EOM2,EOM3,EOM4,SFCIS,SFCIS1,SFCIS2,SFCIS3,SFCIS4,CIS,CIS2},
Frame->True,
PlotLabel-> MaTeX["\\text{(SF-)CIS vs EOM-CCSD}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\Delta E \\text{ (\\ce{H-H})  (eV)}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{6,31}}]

SF-TDDFT / TDDFT

tddft = {{15.2526`,14.7414`,14.1795`,13.7844`,13.3389`,12.9158`,12.5137`,12.131`,11.7664`,11.419`,11.0882`,10.7732`,10.4737`,10.1891`,9.919`,9.6631`,9.421`,9.1925`,8.9771`,8.7747`,8.5848`,8.4072`,8.2413`,8.0868`,7.9431`,7.8099`,7.6866`,7.5727`,7.4677`,7.3712`,7.2827`,7.2018`,7.1279`,7.0606`,6.9996`,6.9445`,6.8947`,6.85`,6.81`,6.7744`,6.7427`,6.7148`,6.6902`,6.6688`,6.6501`,6.6341`,6.6205`,6.6091`,6.5996`,6.5918`,6.5857`,6.5811`,6.5778`,6.5757`,6.5746`,6.5746`,6.5754`,6.577`,6.5792`,6.5821`,6.5856`,6.5896`,6.5939`,6.5987`,6.6037`,6.609`,6.6145`,6.6202`,6.626`,6.632`,6.6381`}};

tddft1={{16.8958`,16.5327`,16.1986`,15.8932`,15.6141`,15.3581`,15.1217`,14.9023`,14.6985`,14.5093`,14.3338`,14.1711`,14.0202`,13.8801`,13.7497`,13.6282`,13.5146`,13.4083`,13.3087`,13.2151`,13.1272`,13.0444`,12.9664`,12.8929`,12.8239`,12.7593`,12.6993`,12.6438`,12.5927`,12.5457`,12.5019`,12.4607`,12.421`,12.3819`,12.3429`,12.3038`,12.2645`,12.2253`,12.1863`,12.1474`,12.1087`,12.0697`,12.0299`,11.9888`,11.9457`,11.8999`,11.8512`,11.7993`,11.7444`,11.6869`,11.6273`,11.5663`,11.5047`,11.4432`,11.3825`,11.3232`,11.2658`,11.2106`,11.1581`,11.1083`,11.0615`,11.0178`,10.9771`,10.9396`,10.9052`,10.8739`,10.8457`,10.8204`,10.7979`,10.7783`,10.7613`}};

sftddft = {{17.2758`,16.3816`,15.5229`,14.700199999999999`,13.915700000000001`,13.1713`,12.4685`,11.8082`,11.190999999999999`,10.617`,10.0855`,9.5954`,9.144400000000001`,8.7303`,8.3499`,8.000399999999999`,7.679200000000001`,7.3837`,7.111599999999999`,6.860900000000001`,6.6301000000000005`,6.417400000000001`,6.2217`,6.041899999999999`,5.8767`,5.7254000000000005`,5.587100000000001`,5.461`,5.346500000000001`,5.242800000000001`,5.1495`,5.0657`,4.991`,4.9249`,4.8667`,4.816`,4.7722`,4.734800000000001`,4.7034`,4.677499999999999`,4.656500000000001`,4.64`,4.6277`,4.6190999999999995`,4.6139`,4.611800000000001`,4.612399999999999`,4.615499999999999`,4.6208`,4.628`,4.6369`,4.647400000000001`,4.6592`,4.6724000000000006`,4.686400000000001`,4.701499999999999`,4.7174000000000005`,4.734000000000001`,4.751199999999999`,4.768999999999999`,4.7873`,4.8058`,4.8249`,4.8441`,4.8635`,4.883100000000001`,4.9029`,4.922699999999999`,4.942500000000001`,4.962399999999999`,4.9822`}};

sftddft1 = {{13.505600000000001`,13.0734`,12.6738`,12.3088`,11.9783`,11.680700000000002`,11.414000000000001`,11.176`,10.9649`,10.779`,10.6165`,10.475200000000001`,10.352699999999999`,10.2467`,10.1547`,10.074`,10.0025`,9.937000000000001`,9.8732`,9.8031`,9.7087`,9.546100000000001`,9.2661`}};

sftddft2 = {{9.2661`,8.904`,8.5243`,8.1563`,7.809700000000001`,7.4872`,7.189399999999999`,6.915700000000001`,6.6653`,6.437100000000001`,6.229699999999999`,6.042000000000001`,5.8728`,5.720899999999999`,5.585000000000001`,5.464099999999999`,5.356999999999999`,5.2626`,5.1798`,5.107600000000001`,5.045100000000001`,4.9915`,4.945799999999999`,4.9076`,4.8758`,4.8499`,4.829199999999999`,4.8134`,4.8016`,4.793700000000001`,4.7890999999999995`,4.7877`,4.7887`,4.792199999999999`,4.7978`,4.8053`,4.814399999999999`,4.825`,4.8368`,4.849600000000001`,4.863599999999999`,4.8783`,4.893699999999999`,4.909800000000001`,4.9265`,4.9435`,4.9609000000000005`,4.9785`,4.9964`}};

sftddft3 = {{27.846200000000003`,27.276799999999998`,26.6959`,26.063599999999997`,25.3961`,24.665300000000002`,23.7149`,22.5088`,21.2352`,19.9973`,18.8241`,17.7228`,16.6929`,15.7323`,14.8375`,14.0054`,13.2333`,12.519400000000001`,11.8633`,11.2688`,10.7505`,10.348`,10.1078`}};

sftddft4 = {{10.1078`,9.991700000000002`,9.9322`,9.898`,9.8777`,9.866399999999999`,9.862`,9.8626`,9.867099999999999`,9.8739`,9.881499999999999`,9.8887`,9.8946`,9.898699999999998`,9.9011`,9.902000000000001`,9.9021`,9.901799999999998`,9.9014`,9.901`,9.9008`,9.9005`,9.899899999999999`,9.8985`,9.8959`,9.8918`,9.8857`,9.8773`,9.866599999999998`,9.8536`,9.8385`,9.8216`,9.803`,9.7833`,9.762699999999999`,9.741700000000002`,9.7205`,9.6995`,9.679`,9.659`,9.64`,9.6217`,9.6045`,9.5884`,9.5734`,9.5594`,9.5465`,9.5346`,9.523800000000001`}};

TDDFT= ListPlot[Table[Table[{coord[[k]],tddft[[l,k]]},{k,1,Length[tddft[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dotted]},PlotRange->All];

TDDFT1= ListPlot[Table[Table[{coord[[k]],tddft1[[l,k]]},{k,1,Length[tddft1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dotted]},PlotRange->All];


SFTDDFT= ListPlot[Table[Table[{coord[[k]],sftddft[[l,k]]},{k,1,Length[sftddft[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dashed]},PlotRange->All];

SFTDDFT1= ListPlot[Table[Table[{coord[[k]],sftddft1[[l,k]]},{k,1,Length[sftddft1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

SFTDDFT2= ListPlot[Table[Table[{coord[[k+22]],sftddft2[[l,k]]},{k,1,Length[sftddft2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFTDDFT3= ListPlot[Table[Table[{coord[[k]],sftddft3[[l,k]]},{k,1,Length[sftddft3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFTDDFT4= ListPlot[Table[Table[{coord[[k+22]],sftddft4[[l,k]]},{k,1,Length[sftddft4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

Show[
{EOM,EOM1,EOM2,EOM3,EOM4,SFTDDFT,SFTDDFT1,SFTDDFT2,SFTDDFT3,SFTDDFT4,TDDFT,TDDFT1},
Frame->True,
PlotLabel-> MaTeX["\\text{(SF-)BH\\&HLYP vs EOM-CCSD}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\Delta E \\text{ (\\ce{H-H})  (eV)}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{2,31}}]

b3lyp = {{14.6686`,14.2086`,13.7774`,13.3588`,12.9603`,12.5826`,12.2244`,11.8843`,11.5612`,11.2541`,10.9625`,10.686`,10.4241`,10.1762`,9.9421`,9.7214`,9.5137`,9.3188`,9.1364`,8.9662`,8.8079`,8.661`,8.5252`,8.4001`,8.2851`,8.1798`,8.0836`,7.9962`,7.9169`,7.8452`,7.7808`,7.7231`,7.6717`,7.6261`,7.5859`,7.5508`,7.5203`,7.494`,7.4716`,7.4528`,7.4372`,7.4246`,7.4145`,7.4068`,7.4013`,7.3976`,7.3955`,7.3949`,7.3957`,7.3975`,7.4003`,7.404`,7.4085`,7.4136`,7.4192`,7.4254`,7.432`,7.4389`,7.4461`,7.4535`,7.4612`,7.469`,7.4769`,7.4849`,7.4929`,7.5009`,7.5088`,7.5167`,7.5245`,7.5322`,7.5398`}};

b3lyp1={{16.4348`,16.1148`,15.8205`,15.5518`,15.3066`,15.0817`,14.8738`,14.6805`,14.5004`,14.333`,14.1774`,14.0331`,13.8992`,13.7747`,13.6588`,13.5507`,13.4495`,13.3547`,13.2657`,13.1821`,13.1034`,13.0292`,12.9592`,12.8933`,12.8313`,12.7734`,12.7196`,12.67`,12.6243`,12.5824`,12.5434`,12.5066`,12.471`,12.436`,12.4009`,12.3656`,12.3301`,12.2946`,12.2593`,12.2242`,12.1892`,12.1541`,12.1183`,12.0815`,12.0429`,12.002`,11.9585`,11.9122`,11.8631`,11.8116`,11.7582`,11.7034`,11.648`,11.5925`,11.5377`,11.4841`,11.4321`,11.3822`,11.3347`,11.2896`,11.2473`,11.2078`,11.1712`,11.1374`,11.1065`,11.0785`,11.0533`,11.0309`,11.0111`,10.9938`,10.9791`}};

sfb3lyp = {{18.9601`,17.865`,16.8124`,15.8035`,14.839500000000001`,13.921700000000001`,13.0504`,12.225800000000001`,11.447500000000002`,10.7148`,10.0266`,9.3818`,8.7789`,8.2166`,7.6933`,7.2073`,6.7576`,6.342600000000001`,5.9611`,5.6114`,5.292200000000001`,5.0017000000000005`,4.738100000000001`,4.498900000000001`,4.2822`,4.0854`,3.9063`,3.7429000000000006`,3.5931999999999995`,3.4558`,3.329299999999999`,3.2125000000000004`,3.1046000000000005`,3.0046`,2.9118999999999993`,2.8259000000000007`,2.746100000000001`,2.6720999999999995`,2.6034000000000006`,2.539699999999999`,2.480599999999999`,2.4258000000000006`,2.374999999999999`,2.3282000000000007`,2.2847999999999997`,2.244799999999999`,2.208`,2.1740999999999993`,2.1430999999999996`,2.1147`,2.0887000000000002`,2.0649999999999995`,2.0435999999999996`,2.0241999999999996`,2.006800000000001`,1.991200000000001`,1.977199999999999`,1.9648999999999992`,1.9541000000000004`,1.944700000000001`,1.9365000000000006`,1.929499999999999`,1.9236000000000004`,1.9187000000000003`,1.9147000000000007`,1.9117000000000006`,1.9093`,1.9076999999999993`,1.9068000000000005`,1.9064999999999994`,1.9066999999999998`}};

sfb3lyp1 = {{12.4848`,11.9994`,11.5511`,11.1441`,10.7795`,10.4561`,10.1717`,9.924000000000001`,9.7104`,9.5288`,9.3762`,9.2496`,9.145700000000001`,9.061399999999999`,8.9936`,8.939200000000001`,8.8963`,8.8621`,8.8346`,8.8102`,8.7787`,8.660599999999999`,8.2749`}};

sfb3lyp2={{8.2749`,7.8339`,7.411100000000001`,7.0128`,6.6393`,6.2895`,5.962199999999999`,5.6562`,5.3701`,5.1029`,4.8533`,4.6203`,4.4031`,4.2005`,4.0119`,3.8365`,3.6732999999999993`,3.5217`,3.3810000000000002`,3.250400000000001`,3.1292999999999997`,3.0174000000000003`,2.9140000000000006`,2.818699999999999`,2.7308000000000003`,2.6499000000000006`,2.5756000000000006`,2.507500000000001`,2.4449999999999994`,2.3879`,2.3360000000000003`,2.2887000000000013`,2.2458`,2.2071000000000005`,2.1720999999999995`,2.1406`,2.112399999999999`,2.087200000000001`,2.0647`,2.044599999999999`,2.027000000000001`,2.011499999999999`,1.9979000000000005`,1.986200000000001`,1.975999999999999`,1.9674000000000005`,1.9602000000000004`,1.9542000000000002`,1.9493`}};

sfb3lyp3={{27.685000000000002`,27.0008`,26.3074`,25.6257`,24.8785`,23.8006`,22.3324`,20.9249`,19.6049`,18.3735`,17.2271`,16.1614`,15.1706`,14.2495`,13.392600000000002`,12.5949`,11.8522`,11.1606`,10.517100000000001`,9.920200000000001`,9.3758`,8.959800000000001`,8.8497`}};

sfb3lyp4={{8.8497`,8.8301`,8.8254`,8.827`,8.8332`,8.8434`,8.8574`,8.8747`,8.8945`,8.9158`,8.937100000000001`,8.9571`,8.975`,8.99`,9.002400000000002`,9.012599999999999`,9.021`,9.028299999999998`,9.034799999999999`,9.0406`,9.0457`,9.0498`,9.0522`,9.052299999999999`,9.0493`,9.0426`,9.0318`,9.0166`,8.9971`,8.973600000000001`,8.946700000000002`,8.916999999999998`,8.885099999999998`,8.851799999999999`,8.817700000000002`,8.7834`,8.7493`,8.7161`,8.6838`,8.6528`,8.6234`,8.595600000000001`,8.569500000000001`,8.545300000000001`,8.5228`,8.502299999999998`,8.4835`,8.4666`,8.4513`}};



B3LYP= ListPlot[Table[Table[{coord[[k]],b3lyp[[l,k]]},{k,1,Length[b3lyp[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Red,Dotted]},PlotRange->All];

B3LYP1= ListPlot[Table[Table[{coord[[k]],b3lyp1[[l,k]]},{k,1,Length[b3lyp1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Black,Dotted]},PlotRange->All];

SFB3LYP= ListPlot[Table[Table[{coord[[k]],sfb3lyp[[l,k]]},{k,1,Length[sfb3lyp[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dashed]},PlotRange->All];

SFB3LYP1= ListPlot[Table[Table[{coord[[k]],sfb3lyp1[[l,k]]},{k,1,Length[sfb3lyp1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

SFB3LYP2= ListPlot[Table[Table[{coord[[k+22]],sfb3lyp2[[l,k]]},{k,1,Length[sfb3lyp2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFB3LYP3= ListPlot[Table[Table[{coord[[k]],sfb3lyp3[[l,k]]},{k,1,Length[sfb3lyp3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFB3LYP4= ListPlot[Table[Table[{coord[[k+22]],sfb3lyp4[[l,k]]},{k,1,Length[sfb3lyp4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

Show[
{EOM,EOM1,EOM2,EOM3,EOM4,SFB3LYP,SFB3LYP1,SFB3LYP2,SFB3LYP3,SFB3LYP4,B3LYP,B3LYP1},
Frame->True,
PlotLabel-> MaTeX["\\text{(SF-)B3LYP vs EOM-CCSD}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\Delta E \\text{ (\\ce{H-H})  (eV)}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{1,31}}]

sfcamb3lyp={{18.993499999999997`,17.910899999999998`,16.8711`,15.8752`,14.9249`,14.0213`,13.165199999999999`,12.3569`,11.5963`,10.8829`,10.2163`,9.595400000000001`,9.0193`,8.486699999999999`,7.9963999999999995`,7.5465`,7.1354`,6.7608`,6.4204`,6.1114`,5.831300000000001`,5.5772`,5.3466000000000005`,5.1371`,4.9464`,4.7728`,4.6145`,4.470000000000001`,4.338500000000001`,4.218500000000001`,4.109400000000001`,4.0103`,3.9205999999999994`,3.8396`,3.7668`,3.7016999999999998`,3.6437999999999997`,3.5927`,3.548`,3.509199999999999`,3.4759`,3.447799999999999`,3.424499999999999`,3.4057000000000004`,3.3911`,3.380300000000001`,3.3729000000000005`,3.3689`,3.3679000000000006`,3.3696`,3.3736999999999995`,3.3801999999999994`,3.3885999999999994`,3.3988999999999994`,3.4109000000000007`,3.4246`,3.4395000000000007`,3.4556000000000004`,3.4728000000000003`,3.4910000000000005`,3.5101000000000004`,3.5298`,3.5503`,3.571300000000001`,3.5927999999999995`,3.6145999999999994`,3.6366999999999994`,3.659299999999999`,3.6819000000000006`,3.7046`,3.727499999999999`}};

sfcamb3lyp1={{13.0824`,12.6067`,12.1664`,11.7649`,11.4033`,11.0801`,10.793800000000001`,10.5419`,10.322199999999999`,10.1325`,9.9704`,9.832999999999998`,9.717500000000001`,9.620899999999999`,9.540600000000001`,9.474`,9.4191`,9.373999999999999`,9.337000000000002`,9.3065`,9.2805`,9.2461`,8.9064}};

sfcamb3lyp2={{8.9064`,8.4466`,8.0144`,7.611600000000001`,7.236800000000001`,6.888300000000001`,6.5651`,6.265600000000001`,5.9885`,5.732600000000001`,5.4967999999999995`,5.2799000000000005`,5.0809999999999995`,4.899`,4.733099999999999`,4.582300000000001`,4.4457`,4.322299999999999`,4.2115`,4.112299999999999`,4.0241`,3.9460000000000006`,3.8774999999999995`,3.8176999999999994`,3.7658999999999994`,3.7216000000000005`,3.684099999999999`,3.6529000000000007`,3.6273999999999997`,3.607`,3.5913999999999993`,3.5801`,3.5727`,3.568900000000001`,3.568199999999999`,3.5702999999999996`,3.575`,3.5820999999999996`,3.5911999999999997`,3.6019000000000005`,3.6143`,3.6281999999999996`,3.643299999999999`,3.6594999999999995`,3.6766000000000005`,3.6946000000000003`,3.7132000000000005`,3.732400000000001`,3.7521000000000004`}};

sfcamb3lyp3={{27.9681`,27.2802`,26.5808`,25.8878`,25.1909`,24.3388`,23.0794`,21.7118`,20.3961`,19.1572`,17.9983`,16.917`,15.909`,14.9698`,14.0944`,13.229899999999999`,12.5178`,11.8086`,11.1475`,10.531400000000001`,9.9584`,9.4378`,9.2631`}};

sfcamb3lyp4={{9.2631`,9.2464`,9.2374`,9.2326`,9.2315`,9.234`,9.240300000000001`,9.249600000000001`,9.2615`,9.2746`,9.288`,9.3003`,9.310599999999999`,9.3187`,9.3244`,9.328500000000002`,9.3312`,9.333199999999998`,9.334900000000001`,9.3366`,9.3382`,9.339400000000001`,9.34`,9.339400000000001`,9.337`,9.3323`,9.325`,9.3148`,9.3015`,9.2853`,9.2666`,9.2455`,9.2227`,9.1987`,9.1739`,9.1487`,9.1237`,9.0992`,9.075299999999999`,9.0523`,9.0305`,9.01`,8.9908`,8.9729`,8.9564`,8.941299999999998`,8.9275`,8.915`,8.9037`}};

camb3lyp={{14.6521`,14.2034`,13.7721`,13.3577`,12.962`,12.5858`,12.2276`,11.8861`,11.56`,11.2486`,10.9513`,10.6676`,10.3972`,10.1396`,9.8946`,9.6618`,9.4411`,9.2321`,9.0348`,8.8489`,8.6741`,8.5102`,8.3569`,8.2138`,8.0804`,7.9564`,7.8414`,7.7349`,7.6365`,7.5457`,7.4622`,7.3855`,7.3152`,7.251`,7.1924`,7.1391`,7.0907`,7.0468`,7.0072`,6.9715`,6.9394`,6.9106`,6.8849`,6.862`,6.8416`,6.8236`,6.8077`,6.7938`,6.7816`,6.7711`,6.7619`,6.7542`,6.7476`,6.7421`,6.7376`,6.7339`,6.7311`,6.729`,6.7275`,6.7266`,6.7262`,6.7263`,6.7268`,6.7276`,6.7288`,6.7302`,6.7318`,6.7336`,6.7356`,6.7377`,6.7399`}};

camb3lyp1={{16.3985`,16.085`,15.7963`,15.5322`,15.2907`,15.0689`,14.8632`,14.6715`,14.4925`,14.3254`,14.1698`,14.0249`,13.89`,13.7641`,13.6465`,13.5363`,13.4327`,13.3354`,13.2436`,13.157`,13.0751`,12.9976`,12.9243`,12.8548`,12.7892`,12.7276`,12.6702`,12.6168`,12.5675`,12.5219`,12.4793`,12.4389`,12.3998`,12.3612`,12.3225`,12.2836`,12.2446`,12.2055`,12.1667`,12.1281`,12.0896`,12.0511`,12.0119`,11.9715`,11.9293`,11.8846`,11.8371`,11.7865`,11.7328`,11.6764`,11.6177`,11.5575`,11.4965`,11.4353`,11.3747`,11.3152`,11.2574`,11.2018`,11.1485`,11.098`,11.0503`,11.0057`,10.964`,10.9255`,10.8901`,10.8577`,10.8284`,10.8021`,10.7786`,10.758`,10.7401`}};

CAMB3LYP= ListPlot[Table[Table[{coord[[k]],camb3lyp[[l,k]]},{k,1,Length[camb3lyp[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dotted]},PlotRange->All];

CAMB3LYP1= ListPlot[Table[Table[{coord[[k]],camb3lyp1[[l,k]]},{k,1,Length[camb3lyp1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dotted]},PlotRange->All];


SFCAMB3LYP= ListPlot[Table[Table[{coord[[k]],sfcamb3lyp[[l,k]]},{k,1,Length[sfcamb3lyp[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dashed]},PlotRange->All];

SFCAMB3LYP1= ListPlot[Table[Table[{coord[[k]],sfcamb3lyp1[[l,k]]},{k,1,Length[sfcamb3lyp1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

SFCAMB3LYP2= ListPlot[Table[Table[{coord[[k+22]],sfcamb3lyp2[[l,k]]},{k,1,Length[sfcamb3lyp2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFCAMB3LYP3= ListPlot[Table[Table[{coord[[k]],sfcamb3lyp3[[l,k]]},{k,1,Length[sfcamb3lyp3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,31}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All,InterpolationOrder->2];

SFCAMB3LYP4= ListPlot[Table[Table[{coord[[k+22]],sfcamb3lyp4[[l,k]]},{k,1,Length[sfcamb3lyp4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,31}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

Show[
{EOM,EOM1,EOM2,EOM3,EOM4,CAMB3LYP,CAMB3LYP1,SFCAMB3LYP,SFCAMB3LYP1,SFCAMB3LYP2,SFCAMB3LYP3,SFCAMB3LYP4},
Frame->True,
PlotLabel-> MaTeX["\\text{(SF-)TD-CAM-B3LYP vs EOM-CCSD}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\Delta E \\text{ (\\ce{H-H})  (eV)}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{0.2,31}}]

blyp={{14.1433`,13.7804`,13.3835`,13.0021`,12.6389`,12.2954`,11.9704`,11.6625`,11.3707`,11.0941`,10.8322`,10.5847`,10.3511`,10.131`,9.924`,9.7297`,9.5479`,9.3782`,9.2204`,9.0743`,8.9393`,8.8152`,8.7016`,8.598`,8.5038`,8.4187`,8.342`,8.2734`,8.2122`,8.1579`,8.1101`,8.0684`,8.0321`,8.001`,7.9746`,7.9525`,7.9343`,7.9197`,7.9083`,7.8999`,7.894`,7.8905`,7.8889`,7.8892`,7.8909`,7.894`,7.8982`,7.9033`,7.9093`,7.9159`,7.923`,7.9306`,7.9386`,7.9469`,7.9555`,7.9642`,7.9731`,7.982`,7.9911`,8.0001`,8.0092`,8.0184`,8.0274`,8.0364`,8.0453`,8.0539`,8.0624`,8.0708`,8.0789`,8.0869`,8.0947`}};

blyp1={{16.0642`,15.7768`,15.5128`,15.2723`,15.0535`,14.853`,14.6676`,14.495`,14.3339`,14.1839`,14.0444`,13.915`,13.7949`,13.6833`,13.5794`,13.4823`,13.4202`,13.3064`,13.2265`,13.1514`,13.0806`,13.0139`,12.951`,12.8918`,12.8361`,12.7842`,12.736`,12.6918`,12.6512`,12.614`,12.5796`,12.5472`,12.5159`,12.4849`,12.4538`,12.4225`,12.3909`,12.3592`,12.3277`,12.2965`,12.2654`,12.2343`,12.2027`,12.1702`,12.1362`,12.1003`,12.0619`,12.021`,11.9775`,11.9315`,11.8836`,11.8342`,11.7839`,11.7333`,11.6831`,11.6337`,11.5857`,11.5395`,11.4952`,11.4532`,11.4136`,11.3765`,11.3421`,11.3103`,11.2812`,11.2547`,11.2308`,11.2095`,11.1906`,11.1741`,11.16`}};

sfblyp = {{11.329`,10.6263`,9.9478`,9.3008`,8.6949`,8.1348`,7.6202000000000005`,7.1494`,6.7203`,6.330100000000001`,5.9759`,5.654`,5.361000000000001`,5.0931`,4.8472`,4.6205`,4.4103`,4.2148`,4.032400000000001`,3.8616`,3.7013`,3.5503`,3.407800000000001`,3.2731000000000003`,3.1456`,3.0244999999999997`,2.9095000000000004`,2.8000000000000007`,2.6957000000000004`,2.5963000000000003`,2.5013000000000005`,2.4105`,2.324`,2.2410999999999994`,2.162`,2.0863999999999994`,2.0139999999999993`,1.9446999999999992`,1.8782999999999994`,1.8145999999999995`,1.7535000000000007`,1.6946999999999992`,1.6383`,1.5839999999999996`,1.5315000000000003`,1.4809999999999999`,1.4323000000000006`,1.3851999999999993`,1.3398999999999992`,1.2961`,1.253800000000001`,1.2129999999999992`,1.1734999999999989`,1.1353999999999997`,1.0987`,1.0633`,1.0290000000000008`,0.9959999999999996`,0.9640999999999993`,0.9333000000000009`,0.9033999999999995`,0.8745000000000012`,0.8465000000000007`,0.8193999999999999`,0.7929999999999993`,0.7672999999999988`,0.7423000000000002`,0.718`,0.6943000000000001`,0.6709999999999994`,0.6483000000000008`}};

sfblyp1 = {{11.8309`,11.3187`,10.847999999999999`,10.4247`,10.0504`,9.724`,9.4428`,9.2036`,9.003400000000001`,8.8391`,8.7069`,8.6028`,8.5231`,8.4636`,8.4209`,8.3919`,8.3738`,8.3646`,8.362400000000001`,8.3658`,8.3736`,8.100999999999999`}};

sfblyp2={{8.100999999999999`,7.641000000000001`,7.2107`,6.8081`,6.431000000000001`,6.077800000000001`,5.746499999999999`,5.4358`,5.1443`,4.8706`,4.613599999999999`,4.372199999999999`,4.145299999999999`,3.932100000000001`,3.7317`,3.5434`,3.366199999999999`,3.1995000000000005`,3.0424999999999995`,2.8945000000000007`,2.7548999999999992`,2.6232999999999995`,2.4990000000000006`,2.3816999999999995`,2.2708999999999993`,2.166100000000001`,2.067`,1.9731999999999994`,1.8844000000000003`,1.8000999999999996`,1.7202000000000002`,1.644499999999999`,1.5728`,1.5049000000000001`,1.4405999999999999`,1.3794999999999993`,1.3213999999999997`,1.2664`,1.2139000000000006`,1.1639999999999997`,1.1164000000000005`,1.0709`,1.0275999999999996`,0.9862000000000002`,0.9465999999999983`,0.9087999999999994`,0.8725000000000005`,0.8376999999999999`,0.8041999999999998`,0.7719000000000005`}};

sfblyp3={{27.453000000000003`,26.7499`,26.0407`,25.056700000000003`,24.0046`,22.4305`,20.9574`,19.583900000000003`,18.306900000000002`,17.122300000000003`,16.025`,15.0092`,14.0687`,13.197199999999999`,12.3887`,11.638`,10.939799999999998`,10.290000000000001`,9.6845`,9.120000000000001`,8.5931,8.3736`}};

sfblyp4={{8.3736`,8.384599999999999`,8.398299999999999`,8.414200000000001`,8.4321`,8.4523`,8.475000000000001`,8.5005`,8.5293`,8.561`,8.595`,8.630299999999998`,8.6658`,8.6999`,8.7319`,8.7613`,8.7881`,8.8131`,8.836900000000002`,8.860300000000002`,8.8841`,8.908399999999999`,8.933500000000002`,8.9589`,8.983699999999999`,9.007`,9.0272`,9.042599999999998`,9.0516`,9.052900000000001`,9.0454`,9.0688`,9.0541`,9.040799999999997`,9.0289`,9.0185`,9.009800000000002`,9.0029`,8.998000000000001`,8.9951`,8.9943`,8.9956`,8.9988`,9.003999999999998`,9.0108`,9.018999999999998`,9.028500000000001`,9.038699999999999`,9.0494`,9.060199999999998`,9.070599999999999`}};

BLYP= ListPlot[Table[Table[{coord[[k]],blyp[[l,k]]},{k,1,Length[blyp[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dotted]},PlotRange->All];

BLYP1= ListPlot[Table[Table[{coord[[k]],blyp1[[l,k]]},{k,1,Length[blyp1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dotted]},PlotRange->All];

SFBLYP= ListPlot[Table[Table[{coord[[k]],sfblyp[[l,k]]},{k,1,Length[sfblyp[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dashed]},PlotRange->All];

SFBLYP1= ListPlot[Table[Table[{coord[[k]],sfblyp1[[l,k]]},{k,1,Length[sfblyp1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

SFBLYP2= ListPlot[Table[Table[{coord[[k+21]],sfblyp2[[l,k]]},{k,1,Length[sfblyp2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFBLYP3= ListPlot[Table[Table[{coord[[k]],sfblyp3[[l,k]]},{k,1,Length[sfblyp3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFBLYP4= ListPlot[Table[Table[{coord[[k+20]],sfblyp4[[l,k]]},{k,1,Length[sfblyp4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

Show[
{EOM,EOM1,EOM2,EOM3,EOM4,SFBLYP,SFBLYP1,SFBLYP2,SFBLYP3,SFBLYP4,BLYP,BLYP1},
Frame->True,
PlotLabel-> MaTeX["\\text{(SF-)BLYP vs EOM-CCSD}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\Delta E \\text{ (\\ce{H-H})  (eV)}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{0.2,31}}]

sfwb97xd={{18.9135`,17.8381`,16.8058`,15.8185`,14.877`,13.9815`,13.1322`,12.3291`,11.5718`,10.8596`,10.1918`,9.5678`,8.9867`,8.448`,7.9504`,7.4933000000000005`,7.0746`,6.693099999999999`,6.346100000000001`,6.0316`,5.7467`,5.4887999999999995`,5.2549`,5.042999999999999`,4.8505`,4.6751`,4.515700000000001`,4.3704`,4.2378`,4.116999999999999`,4.0073`,3.9074999999999998`,3.8169999999999997`,3.7353000000000005`,3.662`,3.5961999999999996`,3.5376000000000003`,3.4857999999999993`,3.4403999999999995`,3.4012000000000002`,3.3674`,3.3388999999999998`,3.3154000000000003`,3.2965999999999998`,3.281999999999999`,3.2714999999999996`,3.2646999999999995`,3.2613000000000003`,3.2612000000000005`,3.2640000000000002`,3.2696000000000005`,3.2778`,3.2881`,3.3007999999999997`,3.315200000000001`,3.3314999999999992`,3.3492999999999995`,3.3686999999999996`,3.3893999999999993`,3.4113000000000007`,3.4343000000000004`,3.4582000000000006`,3.4829999999999997`,3.5084999999999997`,3.5347`,3.5615999999999994`,3.5888999999999998`,3.616699999999999`,3.644799999999999`,3.6733000000000002`,3.702`}};

sfwb97xd1={{12.9887`,12.5045`,12.0582`,11.653400000000001`,11.2904`,10.967`,10.681000000000001`,10.4298`,10.211`,10.0225`,9.8618`,9.7263`,9.612900000000002`,9.518699999999999`,9.441`,9.3771`,9.3249`,9.2823`,9.2477`,9.2193`,9.194400000000002`,9.1516`,8.7912`}};

sfwb97xd2={{8.7912`,8.3341`,7.903700000000001`,7.501499999999999`,7.1279`,6.780900000000001`,6.4582`,6.1592`,5.8831999999999995`,5.627800000000001`,5.3919999999999995`,5.1754999999999995`,4.9769000000000005`,4.7947999999999995`,4.6287`,4.4774`,4.340399999999999`,4.216900000000001`,4.105700000000001`,4.0059000000000005`,3.9173`,3.8389999999999995`,3.7703999999999995`,3.7104999999999997`,3.6586999999999996`,3.614600000000001`,3.5778`,3.5474000000000006`,3.5229999999999997`,3.5040000000000004`,3.4901`,3.480900000000001`,3.4757999999999996`,3.4745`,3.4765999999999995`,3.4819000000000004`,3.4899999999999993`,3.5007`,3.5137`,3.5286999999999997`,3.5455999999999994`,3.564`,3.5839000000000008`,3.605199999999999`,3.6275000000000004`,3.650899999999999`,3.6750999999999996`,3.7001999999999997`,3.7257`}};

sfwb97xd3={{27.9088`,27.218400000000003`,26.5182`,25.8273`,25.1353`,24.2696`,22.9724`,21.5959`,20.279500000000002`,19.041700000000002`,17.8838`,16.8029`,15.7949`,14.8554`,13.9797`,13.1619`,12.402999999999999`,11.6944`,11.033800000000001`,10.4187`,9.847999999999999`,9.339`,9.1877`}};

sfwb97xd4={{9.1877`,9.1713`,9.1633`,9.1597`,9.1598`,9.1633`,9.170300000000001`,9.1803`,9.192599999999999`,9.2062`,9.2196`,9.2317`,9.2418`,9.249299999999998`,9.2545`,9.2577`,9.2595`,9.2607`,9.2615`,9.2621`,9.262699999999999`,9.263000000000002`,9.262799999999999`,9.2613`,9.2582`,9.2528`,9.245000000000001`,9.234300000000001`,9.2208`,9.2044`,9.1855`,9.1645`,9.1417`,9.117799999999999`,9.093`,9.067899999999998`,9.043`,9.0185`,8.9948`,8.972000000000001`,8.950299999999999`,8.9299`,8.910699999999999`,8.893`,8.8766`,8.8616`,8.8479`,8.8355`,8.8242`}};

wb97xd={{14.7803`,14.336`,13.9016`,13.4811`,13.0775`,12.6933`,12.3276`,11.979`,11.6468`,11.3303`,11.029`,10.742`,10.4685`,10.2081`,9.9605`,9.726`,9.5042`,9.295`,9.0983`,8.9134`,8.7399`,8.5776`,8.4264`,8.2847`,8.1522`,8.0317`,7.9203`,7.8139`,7.7161`,7.631`,7.5528`,7.4759`,7.4046`,7.3443`,7.292`,7.2409`,7.1903`,7.1451`,7.1078`,7.0759`,7.0449`,7.0139`,6.9859`,6.9621`,6.9417`,6.924`,6.9069`,6.8906`,6.8775`,6.8656`,6.8525`,6.8411`,6.8334`,6.8247`,6.8171`,6.8125`,6.8069`,6.8004`,6.793`,6.7895`,6.7881`,6.78`,6.7774`,6.7728`,6.7689`,6.7677`,6.7668`,6.7605`,6.7653`,6.7555`,6.7527`}};

wb97xd1={{16.4843`,16.1601`,15.8605`,15.5848`,15.3304`,15.0938`,14.8719`,14.6627`,14.4655`,14.2798`,14.1053`,13.9414`,13.7876`,13.6432`,13.5076`,13.3802`,13.2606`,13.1482`,13.0425`,12.9431`,12.8495`,12.7613`,12.6782`,12.6`,12.5267`,12.4584`,12.3951`,12.3369`,12.2835`,12.2349`,12.19`,12.1477`,12.0898`,12.0229`,11.9633`,11.9032`,11.8422`,11.7861`,11.7378`,11.6953`,11.6531`,11.6093`,11.5682`,11.5317`,11.499`,11.4698`,11.44`,11.409`,11.3837`,11.3589`,11.328`,11.3`,11.281`,11.2574`,11.2357`,11.2207`,11.2029`,11.1838`,11.1644`,11.152`,11.1415`,11.1262`,11.1164`,11.1064`,11.0974`,11.0892`,11.081`,11.0729`,11.0647`,11.0557`,11.0461`}};

WB97XD= ListPlot[Table[Table[{coord[[k]],wb97xd[[l,k]]},{k,1,Length[wb97xd[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dotted]},PlotRange->All];

WB97XD1= ListPlot[Table[Table[{coord[[k]],wb97xd1[[l,k]]},{k,1,Length[wb97xd1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dotted]},PlotRange->All];


SFWB97XD= ListPlot[Table[Table[{coord[[k]],sfwb97xd[[l,k]]},{k,1,Length[sfwb97xd[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dashed]},PlotRange->All];

SFWB97XD1= ListPlot[Table[Table[{coord[[k]],sfwb97xd1[[l,k]]},{k,1,Length[sfwb97xd1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

SFWB97XD2= ListPlot[Table[Table[{coord[[k+22]],sfwb97xd2[[l,k]]},{k,1,Length[sfwb97xd2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFWB97XD3= ListPlot[Table[Table[{coord[[k]],sfwb97xd3[[l,k]]},{k,1,Length[sfwb97xd3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,35}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All,InterpolationOrder->2];

SFWB97XD4= ListPlot[Table[Table[{coord[[k+22]],sfwb97xd4[[l,k]]},{k,1,Length[sfwb97xd4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,35}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

Show[
{EOM,EOM1,EOM2,EOM3,EOM4,WB97XD,WB97XD1,SFWB97XD,SFWB97XD1,SFWB97XD2,SFWB97XD3,SFWB97XD4},
Frame->True,
PlotLabel-> MaTeX["\\text{(SF-)TD-}\\omega \\text{B97X-D vs EOM-CCSD}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\Delta E \\text{ (\\ce{H-H})  (eV)}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{0.2,31}}]

sflcwpbe08={{19.794600000000003`,18.6547`,17.562800000000003`,16.5206`,15.5297`,14.5912`,13.7056`,12.8728`,12.092600000000001`,11.364799999999999`,10.6886`,10.0633`,9.4881`,8.9612`,8.481`,8.0451`,7.6508`,7.2949`,6.9742999999999995`,6.6854`,6.425400000000001`,6.1912`,5.980300000000001`,5.7904`,5.6195`,5.4658999999999995`,5.3283000000000005`,5.205399999999999`,5.0962`,4.9996`,4.9148000000000005`,4.8412`,4.7780000000000005`,4.7246`,4.680399999999999`,4.6447`,4.616999999999999`,4.5966000000000005`,4.5831`,4.575900000000001`,4.574400000000001`,4.5782`,4.587`,4.6001`,4.617000000000001`,4.637600000000001`,4.6613`,4.687900000000001`,4.716900000000001`,4.748200000000001`,4.7814000000000005`,4.816400000000001`,4.852899999999999`,4.890700000000001`,4.9296`,4.969399999999999`,5.0100999999999996`,5.0512999999999995`,5.0932`,5.135300000000001`,5.177899999999999`,5.220699999999999`,5.2636`,5.3066`,5.3495`,5.3924`,5.4352`,5.4778`,5.5201`,5.5621`,5.6038`}};

sflcwpbe081={{13.7122`,13.2349`,12.7918`,12.387`,12.0214`,11.6944`,11.4041`,11.148`,10.9235`,10.7285`,10.56`,10.4154`,10.2919`,10.1865`,10.0967`,10.020199999999999`,9.955`,9.899199999999999`,9.8512`,9.808900000000001`,9.7689`,9.7143`,9.4803`}};

sflcwpbe082={{9.4803`,9.0484`,8.623700000000001`,8.227`,7.859700000000001`,7.5213`,7.2105`,6.926100000000001`,6.6667000000000005`,6.4311`,6.218300000000001`,6.0271`,5.8561`,5.7041`,5.5699000000000005`,5.452300000000001`,5.350199999999999`,5.262600000000001`,5.1884`,5.126499999999999`,5.0760000000000005`,5.035699999999999`,5.0047`,4.982100000000001`,4.967299999999999`,4.9594000000000005`,4.957699999999999`,4.961600000000001`,4.970400000000001`,4.9838`,5.001`,5.021599999999999`,5.0453`,5.0714999999999995`,5.100199999999999`,5.1309000000000005`,5.1633000000000004`,5.197100000000001`,5.2323`,5.268599999999999`,5.3058`,5.343699999999999`,5.3821`,5.421000000000001`,5.4603`,5.4998000000000005`,5.5394`,5.579`,5.618500000000001`}};

sflcwpbe083={{28.2705`,27.5642`,26.8424`,26.1221`,25.407200000000003`,24.6119`,23.6158`,22.4026`,21.141199999999998`,19.9189`,18.7606`,17.6719`,16.6525`,15.699300000000001`,14.8088`,13.9775`,13.202`,12.479299999999999`,11.806500000000002`,11.1815`,10.6044`,10.0883`,9.7952`}};

sflcwpbe084={{9.7952`,9.7406`,9.7174`,9.7028`,9.6937`,9.6892`,9.6889`,9.6924`,9.699`,9.7075`,9.716800000000001`,9.725999999999999`,9.7341`,9.7408`,9.7462`,9.7507`,9.7548`,9.7589`,9.7635`,9.768699999999999`,9.774700000000001`,9.780999999999999`,9.7874`,9.7932`,9.797899999999998`,9.8009`,9.8017`,9.799900000000001`,9.795300000000001`,9.7879`,9.7777`,9.765`,9.7503`,9.733699999999999`,9.7159`,9.6973`,9.6782`,9.658900000000001`,9.639899999999999`,9.6212`,9.6032`,9.585899999999999`,9.569500000000001`,9.5539`,9.5394`,9.5257`,9.512999999999998`,9.5012`,9.4902`}};

lcwpbe08={{14.9853`,14.5421`,14.1127`,13.6971`,13.2972`,12.9134`,12.5446`,12.1897`,11.8478`,11.5184`,11.2011`,10.8956`,10.6019`,10.3196`,10.0488`,9.7892`,9.5409`,9.3037`,9.0775`,8.8623`,8.6579`,8.4642`,8.2809`,8.1078`,7.9445`,7.7907`,7.6461`,7.5103`,7.383`,7.2637`,7.1522`,7.048`,6.9508`,6.8602`,6.7759`,6.6975`,6.6246`,6.557`,6.4943`,6.4362`,6.3824`,6.3327`,6.2868`,6.2444`,6.2053`,6.1694`,6.1362`,6.1058`,6.0779`,6.0523`,6.0288`,6.0073`,5.9876`,5.9696`,5.9532`,5.9383`,5.9246`,5.9122`,5.9009`,5.8906`,5.8812`,5.8726`,5.8648`,5.8578`,5.8514`,5.8457`,5.8405`,5.8359`,5.8319`,5.8283`,5.8252`}};

lcwpbe081={{16.7263`,16.4189`,16.1326`,15.8677`,15.6226`,15.3944`,15.1802`,14.9781`,14.787`,14.6064`,14.436`,14.2752`,14.1233`,13.9798`,13.8439`,13.715`,13.5925`,13.4759`,13.365`,13.2593`,13.1585`,13.0623`,12.9706`,12.8773`,12.8004`,12.722`,12.6482`,12.579`,12.5143`,12.4536`,12.3963`,12.3415`,12.2884`,12.2361`,12.1841`,12.1324`,12.081`,12.0299`,11.9794`,11.9294`,11.8795`,11.8293`,11.7782`,11.7254`,11.6699`,11.6112`,11.5488`,11.4826`,11.4127`,11.3399`,11.2649`,11.1887`,11.1124`,11.037`,10.9633`,10.892`,10.8237`,10.759`,10.6982`,10.6415`,10.5892`,10.5711`,10.5548`,10.5399`,10.5262`,10.5136`,10.5018`,10.4906`,10.4795`,10.4684`,10.457`}};

LCWPBE08= ListPlot[Table[Table[{coord[[k]],lcwpbe08[[l,k]]},{k,1,Length[lcwpbe08[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dotted]},PlotRange->All];

LCWPBE081= ListPlot[Table[Table[{coord[[k]],lcwpbe081[[l,k]]},{k,1,Length[lcwpbe081[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dotted]},PlotRange->All];


SFLCWPBE08= ListPlot[Table[Table[{coord[[k]],sflcwpbe08[[l,k]]},{k,1,Length[sflcwpbe08[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dashed]},PlotRange->All];

SFLCWPBE081= ListPlot[Table[Table[{coord[[k]],sflcwpbe081[[l,k]]},{k,1,Length[sflcwpbe081[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

SFLCWPBE082= ListPlot[Table[Table[{coord[[k+22]],sflcwpbe082[[l,k]]},{k,1,Length[sflcwpbe082[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All];

SFLCWPBE083= ListPlot[Table[Table[{coord[[k]],sflcwpbe083[[l,k]]},{k,1,Length[sflcwpbe083[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,35}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All,InterpolationOrder->2];

SFLCWPBE084= ListPlot[Table[Table[{coord[[k+22]],sflcwpbe084[[l,k]]},{k,1,Length[sflcwpbe084[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,35}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All];

Show[
{EOM,EOM1,EOM2,EOM3,EOM4,LCWPBE08,LCWPBE081,SFLCWPBE08,SFLCWPBE081,SFLCWPBE082,SFLCWPBE083,SFLCWPBE084},
Frame->True,
PlotLabel-> MaTeX["\\text{(SF-)TD-LC-}\\omega \\text{PBE08 vs EOM-CCSD}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\Delta E \\text{ (\\ce{H-H})  (eV)}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{0.2,31}}]

S**2 Plots

SSquareSfCis={{0.0472`,0.0594`,0.0735`,0.0892`,0.1058`,0.1221`,0.1373`,0.1509`,0.1623`,0.1713`,0.178`,0.1824`,0.1849`,0.1857`,0.1853`,0.1838`,0.1817`,0.1791`,0.1763`,0.1734`,0.1706`,0.1681`,0.1658`,0.1638`,0.1623`,0.1613`,0.1607`,0.1606`,0.161`,0.1618`,0.1631`,0.1648`,0.1669`,0.1693`,0.1722`,0.1753`,0.1788`,0.1826`,0.1866`,0.1908`,0.1953`,0.1999`,0.2047`,0.2095`,0.2145`,0.2196`,0.2247`,0.2298`,0.2349`,0.24`,0.2451`,0.2501`,0.255`,0.2599`,0.2646`,0.2692`,0.2737`,0.278`,0.2822`,0.2863`,0.2901`,0.2938`,0.2974`,0.3007`,0.3039`,0.3069`,0.3096`,0.3123`,0.3147`,0.3169`,0.3189`}};

SSquareSfCis1 ={{0.9825`,0.9837`,0.9849`,0.9862`,0.9875`,0.9888`,0.99`,0.9911`,0.992`,0.9928`,0.9932`,0.9933`,0.9928`,0.9915`,0.9886`,0.9831`,0.9731`,0.9545`,0.9202`,0.8582`,0.7566`,0.6234`,0.4945`}};

SSquareSfCis2={{ 0.4945`,0.3976`,0.3334`,0.2924`,0.2662`,0.2492`,0.2381`,0.2311`,0.2268`,0.2244`,0.2234`,0.2236`,0.2245`,0.226`,0.2281`,0.2305`,0.2333`,0.2364`,0.2397`,0.2432`,0.2468`,0.2506`,0.2544`,0.2584`,0.2623`,0.2663`,0.2704`,0.2743`,0.2783`,0.2822`,0.286`,0.2898`,0.2934`,0.2969`,0.3003`,0.3036`,0.3068`,0.3098`,0.3127`,0.3154`,0.318`,0.3204`,0.3226`,0.3247`,0.3267`,0.3284`,0.3301`,0.3315`,0.3328`}};

SSquareSfCis3={{0.987`,0.9795`,0.9664`,0.9429`,0.9001`,0.8237`,0.7033`,0.5546`,0.4176`,0.3162`,0.2486`,0.2051`,0.1776`,0.1611`,0.1528`,0.1514`,0.1576`,0.1743`,0.2082`,0.2708`,0.3737`,0.5087`,0.6399`}};

SSquareSfCis4={{0.6399`,0.7397`,0.807`,0.8514`,0.8814`,0.9023`,0.9174`,0.9286`,0.9371`,0.9437`,0.9488`,0.9529`,0.9561`,0.9586`,0.9606`,0.9621`,0.9633`,0.9641`,0.9645`,0.9646`,0.9643`,0.9636`,0.9627`,0.9613`,0.9596`,0.9576`,0.9553`,0.9526`,0.9497`,0.9465`,0.9431`,0.9396`,0.936`,0.9323`,0.9286`,0.9249`,0.9213`,0.9177`,0.9142`,0.9108`,0.9075`,0.9043`,0.9013`,0.8984`,0.8957`,0.8931`,0.8908`,0.8886`,0.8867`}};

SSquareSfCiscurve= ListPlot[Table[Table[{coord[[k]],SSquareSfCis[[l,k]]},{k,1,Length[SSquareSfCis[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dashed]},PlotLegends->Placed[ {MaTeX["\\text{B}~{}^1 \\Sigma_u^+ ",FontSize->24]},{Right,Center}],PlotRange->All,InterpolationOrder->2];

SSquareSfCiscurve1= ListPlot[Table[Table[{coord[[k]],SSquareSfCis1[[l,k]]},{k,1,Length[SSquareSfCis1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotLegends->Placed[ {MaTeX["\\text{E}~{}^1 \\Sigma_g^+ ",FontSize->24]},{Right,Center}],PlotRange->All,InterpolationOrder->2];

SSquareSfCiscurve2= ListPlot[Table[Table[{coord[[k+22]],SSquareSfCis2[[l,k]]},{k,1,Length[SSquareSfCis2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All,InterpolationOrder->2];

SSquareSfCiscurve3= ListPlot[Table[Table[{coord[[k]],SSquareSfCis3[[l,k]]},{k,1,Length[SSquareSfCis3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotLegends->Placed[ {MaTeX["\\text{F}~{}^1 \\Sigma_g^+ ",FontSize->24]},{Right,Center}],PlotRange->All,InterpolationOrder->2];

SSquareSfCiscurve4= ListPlot[Table[Table[{coord[[k+22]],SSquareSfCis4[[l,k]]},{k,1,Length[SSquareSfCis4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All,InterpolationOrder->2];


Show[
{SSquareSfCiscurve,SSquareSfCiscurve1,SSquareSfCiscurve2,SSquareSfCiscurve3,SSquareSfCiscurve4},
Frame->True,
PlotLabel-> MaTeX["\\text{SF-CIS}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\expval{\\hat{S}^2}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{0,1.05}}]

SSquareSftddft={{0.8926`,0.8685`,0.8418`,0.8122`,0.7782`,0.7388`,0.694`,0.6448`,0.5923`,0.5384`,0.4851`,0.4342`,0.3875`,0.346`,0.3103`,0.2803`,0.2555`,0.2354`,0.2192`,0.2062`,0.196`,0.1879`,0.1816`,0.1767`,0.173`,0.1703`,0.1684`,0.1671`,0.1664`,0.1661`,0.1662`,0.1667`,0.1674`,0.1684`,0.1695`,0.1708`,0.1723`,0.1738`,0.1754`,0.1772`,0.1789`,0.1808`,0.1826`,0.1845`,0.1864`,0.1883`,0.1902`,0.192`,0.1939`,0.1957`,0.1975`,0.1993`,0.201`,0.2027`,0.2042`,0.2057`,0.2072`,0.2085`,0.2097`,0.2109`,0.2119`,0.2129`,0.2138`,0.2145`,0.2152`,0.2157`,0.2162`,0.2166`,0.2169`,0.217`,0.2172`}};

SSquareSftddft1 ={{0.9746`,0.974`,0.9734`,0.9727`,0.972`,0.9714`,0.9707`,0.97`,0.9694`,0.9687`,0.9681`,0.9674`,0.9666`,0.9657`,0.9645`,0.9627`,0.9598`,0.9544`,0.9432`,0.9171`,0.8475`,0.6722`,0.4335`}};

SSquareSftddft2={{0.4335`,0.2931`,0.2321`,0.2035`,0.1883`,0.1795`,0.174`,0.1705`,0.1683`,0.167`,0.1663`,0.1661`,0.1663`,0.1669`,0.1677`,0.1686`,0.1698`,0.1711`,0.1726`,0.1742`,0.1758`,0.1775`,0.1793`,0.1811`,0.183`,0.1849`,0.1867`,0.1886`,0.1905`,0.1924`,0.1942`,0.196`,0.1977`,0.1993`,0.2009`,0.2024`,0.2039`,0.2052`,0.2064`,0.2076`,0.2086`,0.2096`,0.2104`,0.2112`,0.2118`,0.2124`,0.2129`,0.2133`,0.2136`}};

SSquareSftddft3={{0.9940,0.9907,0.9838,0.9679`,0.9251`,0.7899`,0.4824`,0.2555`,0.1771`,0.1514`,0.143`,0.1408`,0.1412`,0.1427`,0.1447`,0.1473`,0.1509`,0.1568`,0.1682`,0.1946`,0.2642`,0.4396`,0.6784}};

SSquareSftddft4={{0.6784`,0.8189`,0.8802`,0.9092`,0.9249`,0.9345`,0.9409`,0.9454`,0.9488`,0.9514`,0.9535`,0.9552`,0.9567`,0.9579`,0.9589`,0.9597`,0.9604`,0.961`,0.9614`,0.9617`,0.9619`,0.9619`,0.9619`,0.9617`,0.9614`,0.961`,0.9605`,0.96`,0.9593`,0.9586`,0.9578`,0.9569`,0.956`,0.9551`,0.9542`,0.9533`,0.9523`,0.9514`,0.9505`,0.9497`,0.9489`,0.9482`,0.9475`,0.9469`,0.9464`,0.946`,0.9457`,0.9454`,0.9453`}};

SSquareSftddftcurve= ListPlot[Table[Table[{coord[[k]],SSquareSftddft[[l,k]]},{k,1,Length[SSquareSftddft[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Red,Dashed]},PlotLegends->Placed[ {MaTeX["\\text{B}~{}^1 \\Sigma_u^+ ",FontSize->24]},{Right,Center}],PlotRange->All,InterpolationOrder->2];

SSquareSftddftcurve1= ListPlot[Table[Table[{coord[[k]],SSquareSftddft1[[l,k]]},{k,1,Length[SSquareSftddft1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Black,Dashed]},PlotLegends->Placed[ {MaTeX["\\text{E}~{}^1 \\Sigma_g^+ ",FontSize->24]},{Right,Center}],PlotRange->All,InterpolationOrder->2];

SSquareSftddftcurve2= ListPlot[Table[Table[{coord[[k+22]],SSquareSftddft2[[l,k]]},{k,1,Length[SSquareSftddft2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Blue,Dashed]},PlotLegends->Placed[ {MaTeX["\\text{F}~{}^1 \\Sigma_g^+ ",FontSize->24]},{Right,Center}],PlotRange->All,InterpolationOrder->2];

SSquareSftddftcurve3= ListPlot[Table[Table[{coord[[k]],SSquareSftddft3[[l,k]]},{k,1,Length[SSquareSftddft3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Blue,Dashed]},PlotRange->All,InterpolationOrder->2];

SSquareSftddftcurve4= ListPlot[Table[Table[{coord[[k+22]],SSquareSftddft4[[l,k]]},{k,1,Length[SSquareSftddft4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotRange->{{0.3,4},{0,30}},Joined->True,PlotStyle->{Directive[Black,Dashed]},PlotRange->All,InterpolationOrder->2];


Show[
{SSquareSftddftcurve,SSquareSftddftcurve1,SSquareSftddftcurve2,SSquareSftddftcurve3,SSquareSftddftcurve4},
Frame->True,
PlotLabel-> MaTeX["\\text{SF-BH\\&HLYP}",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\expval{\\hat{S}^2}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{0,1.05}}]

SSquareSfBse={{0.0716`,0.0892`,0.1123`,0.1253`,0.1382`,0.1501`,0.1602`,0.1681`,0.1736`,0.178`,0.1799`,0.1795`,0.1785`,0.1767`,0.1744`,0.1717`,0.1689`,0.1663`,0.1639`,0.1617`,0.1597`,0.1583`,0.1571`,0.1564`,0.1561`,0.1563`,0.1568`,0.1577`,0.1589`,0.1605`,0.1624`,0.1646`,0.1672`,0.17`,0.1731`,0.1763`,0.1797`,0.1833`,0.187`,0.1908`,0.1947`,0.1987`,0.2028`,0.207`,0.2113`,0.2156`,0.2201`,0.2247`,0.2293`,0.2339`,0.2385`,0.2431`,0.2475`,0.2518`,0.2558`,0.2597`,0.2634`,0.2669`,0.2701`,0.2732`,0.276`,0.2786`,0.281`,0.2832`,0.2852`,0.2869`,0.2885`,0.2899`,0.291`}};

SSquareSfBse1 = {{0.9774`,0.9775`,0.9778`,0.9782`,0.9785`,0.979`,0.9796`,0.9803`,0.981`,0.9816`,0.9822`,0.9826`,0.9827`,0.9821`,0.9805`,0.9773`,0.9708`,0.9584`,0.9342`,0.8864`,0.7966`,0.6564`,0.5018`}};

SSquareSfBse2={{0.5018`,0.3828`,0.3083`,0.2639`,0.237`,0.2203`,0.2097`,0.2042`,0.1996`,0.1978`,0.1973`,0.1977`,0.1989`,0.2006`,0.2027`,0.2051`,0.2078`,0.2107`,0.2138`,0.2171`,0.2205`,0.224`,0.2277`,0.2314`,0.2353`,0.2394`,0.2435`,0.2477`,0.2519`,0.2561`,0.2602`,0.2642`,0.268`,0.2716`,0.2749`,0.2781`,0.2811`,0.2838`,0.2864`,0.2887`,0.2908`,0.2927`,0.2945`,0.296`,0.2973`,0.2985`,0.2994`,0.3002`,0.3007`}};

SSquareSfBse3={{0.9936`,0.9918`,0.9827`,0.9641`,0.9262`,0.8517`,0.7122`,0.5251`,0.3645`,0.2623`,0.2031`,0.1716`,0.1488`,0.1313`,0.1316`,0.1343`,0.1395`,0.1496`,0.1753`,0.2258`,0.3175`,0.4601`,0.6174`}};

SSquareSfBse4={{0.6174`,0.7395`,0.8172`,0.8652`,0.8959`,0.9165`,0.931`,0.9408`,0.9493`,0.9551`,0.9596`,0.9632`,0.9661`,0.9685`,0.9704`,0.9718`,0.9729`,0.9737`,0.9741`,0.9742`,0.974`,0.9735`,0.9727`,0.9715`,0.9699`,0.9679`,0.9656`,0.9629`,0.96`,0.957`,0.9538`,0.9505`,0.9473`,0.9441`,0.941`,0.9379`,0.935`,0.9322`,0.9295`,0.927`,0.9246`,0.9224`,0.9203`,0.9184`,0.9167`,0.9152`,0.9139`,0.9128`,0.9119`}};

SSquareSfBsecurve= ListPlot[Table[Table[{coord[[k+2]],SSquareSfBse[[l,k]]},{k,1,Length[SSquareSfBse[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.4,4},{0,2}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Red,Dashed]},PlotLegends->Placed[ {MaTeX["\\text{B}~{}^1 \\Sigma_u^+ ",FontSize->24]},{Right,Center}],PlotRange->All,InterpolationOrder->2];

SSquareSfBsecurve1= ListPlot[Table[Table[{coord[[k]],SSquareSfBse1[[l,k]]},{k,1,Length[SSquareSfBse1[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.4,4},{0,2}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotLegends->Placed[ {MaTeX["\\text{E}~{}^1 \\Sigma_g^+ ",FontSize->24]},{Right,Center}],PlotRange->All,InterpolationOrder->2];

SSquareSfBsecurve2= ListPlot[Table[Table[{coord[[k+22]],SSquareSfBse2[[l,k]]},{k,1,Length[SSquareSfBse2[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.4,4},{0,2}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotLegends->Placed[ {MaTeX["\\text{F}~{}^1 \\Sigma_g^+ ",FontSize->24]},{Right,Center}],PlotRange->All,InterpolationOrder->2];

SSquareSfBsecurve3= ListPlot[Table[Table[{coord[[k]],SSquareSfBse3[[l,k]]},{k,1,Length[SSquareSfBse3[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.4,4},{0,2}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Blue,Dashed]},PlotRange->All,InterpolationOrder->2];

SSquareSfBsecurve4= ListPlot[Table[Table[{coord[[k+22]],SSquareSfBse4[[l,k]]},{k,1,Length[SSquareSfBse4[[1,;;]]]}],{l,1}],Joined->True,PlotRange->{{0.4,4},{0,2}},PlotRange->{{0.3,4},{0,30}},PlotStyle->{Directive[Black,Dashed]},PlotRange->All,InterpolationOrder->2];
Show[
{SSquareSfBsecurve,SSquareSfBsecurve1,SSquareSfBsecurve2,SSquareSfBsecurve3,SSquareSfBsecurve4},
Frame->True,
PlotLabel-> MaTeX["\\text{SF-BSE@G}_0\\text{W}_0",FontSize->24],
FrameLabel-> {
MaTeX["R \\text{(\\ce{H-H})  (\\AA)}",FontSize->24],
MaTeX["\\expval{\\hat{S}^2}",FontSize->24]
},
FrameStyle->Directive[Black,Thick],GridLines->Automatic,
BaseStyle->20,
ImageSize->800,
PlotRange->{{0.4,4},{0,1.05}}]