%nprocshared=12
%mem=20GB
#p opt freq=NoRaman genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

LCu1_Base_CO2_IRC_F_min

1 1
 C	-0.273395000	-3.417054000	-0.129872000
 C	 0.331569000	-3.886012000	 1.189489000
 O	 0.865162000	-2.927399000	 1.996446000
 C	 3.199424000	-2.661085000	 1.830312000
 O	 3.340655000	-2.126996000	 2.867037000
 H	-0.450683000	-4.498188000	 1.686973000
 H	 1.103930000	-4.623246000	 0.879397000
 O	 3.318561000	-3.180750000	 0.782880000
 C	-0.120758000	-2.104894000	-0.463976000
 C	 0.014892000	-0.888911000	-0.727447000
 C	-0.995184000	-4.332929000	-1.007632000
 C	-1.009860000	-5.725964000	-0.765920000
 C	-1.717082000	-3.830350000	-2.115258000
 C	-1.714052000	-6.579354000	-1.608317000
 C	-2.424906000	-4.687607000	-2.948472000
 C	-2.424014000	-6.064845000	-2.699447000
 H	-0.460623000	-6.144746000	 0.069999000
 H	-1.728038000	-2.760864000	-2.299858000
 H	-1.710631000	-7.648315000	-1.416551000
 H	-2.979042000	-4.285339000	-3.791642000
 H	-2.975214000	-6.735869000	-3.352398000
 Cu	 0.155062000	 0.948365000	-0.961614000
 N	-1.234622000	 2.467684000	-0.773823000
 N	 1.483422000	 2.319692000	-1.651757000
 C	-2.638528000	 2.230759000	-0.360185000
 C	-1.131663000	 3.680422000	-1.182511000
 C	 2.912589000	 1.987568000	-1.900911000
 C	 1.313564000	 3.570980000	-1.880834000
 C	-3.328286000	 3.587896000	-0.670598000
 O	-2.240515000	 4.438078000	-1.137610000
 C	 3.447841000	 3.287533000	-2.551441000
 O	 2.378844000	 4.256342000	-2.332607000
 H	-4.065798000	 3.525191000	-1.474042000
 H	-3.771181000	 4.061824000	 0.206974000
 H	 3.591181000	 3.194605000	-3.630766000
 H	 4.353356000	 3.678634000	-2.086637000
 H	 2.950544000	 1.150583000	-2.601054000
 H	-2.639378000	 2.038037000	 0.716451000
 C	 0.073459000	 4.424888000	-1.721035000
 C	-0.293742000	 5.000136000	-3.117142000
 C	 0.401358000	 5.582292000	-0.737216000
 H	-0.549447000	 4.195095000	-3.814651000
 H	 0.555125000	 5.557670000	-3.519072000
 H	-1.148012000	 5.674385000	-3.027705000
 H	 0.673894000	 5.190267000	 0.248448000
 H	-0.471151000	 6.230936000	-0.629999000
 H	 1.234392000	 6.172875000	-1.124996000
 C	-3.263576000	 1.045338000	-1.070985000
 C	-4.252758000	 0.294312000	-0.424753000
 C	-2.891128000	 0.701341000	-2.377158000
 C	-4.851788000	-0.792810000	-1.066246000
 C	-3.485081000	-0.387977000	-3.018029000
 C	-4.465229000	-1.139795000	-2.363279000
 H	-4.550904000	 0.557212000	 0.587201000
 H	-2.118696000	 1.273588000	-2.883441000
 H	-5.613929000	-1.370513000	-0.550226000
 H	-3.179534000	-0.651574000	-4.027217000
 H	-4.923815000	-1.990556000	-2.859695000
 C	 3.601726000	 1.596046000	-0.608495000
 C	 4.140546000	 0.315138000	-0.450670000
 C	 3.714913000	 2.519548000	 0.440946000
 C	 4.800103000	-0.033788000	 0.730946000
 C	 4.368625000	 2.170979000	 1.623027000
 C	 4.914839000	 0.891540000	 1.769798000
 H	 4.049393000	-0.409287000	-1.256226000
 H	 3.296656000	 3.517838000	 0.332307000
 H	 5.227547000	-1.026414000	 0.834966000
 H	 4.452933000	 2.896296000	 2.428006000
 H	 5.423986000	 0.617237000	 2.689387000
 H	 0.056345000	-2.055797000	 2.661273000
 N	-0.476151000	-1.266025000	 3.338360000
 C	-0.889213000	-2.030248000	 4.561968000
 H	-1.405927000	-1.360844000	 5.254764000
 H	-1.607920000	-2.780006000	 4.230151000
 C	-1.639780000	-0.759310000	 2.510574000
 H	-1.178950000	-0.431513000	 1.576732000
 C	 0.649980000	-0.276414000	 3.611395000
 H	 1.481396000	-0.927851000	 3.885904000
 C	-2.600315000	-1.902885000	 2.162044000
 H	-3.281600000	-2.137078000	 2.986879000
 H	-3.206190000	-1.597053000	 1.304214000
 H	-2.072161000	-2.817297000	 1.880428000
 C	-2.402108000	 0.414177000	 3.129221000
 H	-3.307982000	 0.591001000	 2.540029000
 H	-2.714855000	 0.202580000	 4.157096000
 H	-1.818361000	 1.337222000	 3.124133000
 C	 1.075272000	 0.443097000	 2.333319000
 H	 2.007748000	 0.979906000	 2.528616000
 H	 1.256508000	-0.270611000	 1.527762000
 H	 0.333522000	 1.175061000	 1.992373000
 C	 0.410769000	 0.695118000	 4.770784000
 H	 0.101346000	 0.191619000	 5.691169000
 H	 1.359455000	 1.201730000	 4.982055000
 H	-0.326781000	 1.465158000	 4.534426000
 C	 0.279908000	-2.744477000	 5.237862000
 H	 0.957422000	-2.056888000	 5.752637000
 H	-0.118027000	-3.440244000	 5.984640000
 H	 0.851391000	-3.311794000	 4.496680000

-C -N -O -H -S -F 0
6-31g(d)
****
-Cu 0
LANL2DZ
****

-Cu 0
LANL2DZ


