%nprocshared=24
%mem=120GB
#p wb97xd genecp scrf=(solvent=dichloromethane,pcm) nosymm scf=yqc

prets-N2extr_TS_ccpVTZ

1 1
 Cu	 1.162282000	 0.422419000	-0.219310000
 C	-0.386269000	 1.167436000	-1.415963000
 C	-0.844847000	-0.066779000	-2.130337000
 O	-1.421019000	-0.978620000	-1.581302000
 C	-0.758843000	-1.238952000	-4.176989000
 H	-0.301043000	-2.084701000	-3.657289000
 N	 0.078299000	 2.115943000	-2.262298000
 N	 0.492223000	 2.891665000	-2.950879000
 C	-0.177494000	-1.024530000	-5.554977000
 H	-0.357576000	-1.915586000	-6.163137000
 H	-0.645750000	-0.168526000	-6.048801000
 H	 0.901805000	-0.854217000	-5.501778000
 H	-1.840630000	-1.388328000	-4.202787000
 N	 4.116596000	-0.482601000	 1.321055000
 N	 2.615029000	-2.318356000	 0.912610000
 C	 4.774597000	-1.729669000	 1.374978000
 C	 3.943044000	-2.752904000	 1.143916000
 H	 5.830215000	-1.760377000	 1.601168000
 H	 4.164102000	-3.809579000	 1.126584000
 C	 4.783352000	 0.779650000	 1.442851000
 C	 5.042473000	 1.525696000	 0.278618000
 C	 5.167445000	 1.233561000	 2.717766000
 C	 5.698799000	 2.749985000	 0.415568000
 C	 4.648179000	 1.034317000	-1.103709000
 C	 5.834521000	 2.457299000	 2.801145000
 C	 4.906038000	 0.423474000	 3.977529000
 H	 5.913118000	 3.344694000	-0.468239000
 C	 6.095423000	 3.212148000	 1.664222000
 H	 4.092116000	 0.102722000	-0.982108000
 C	 3.720459000	 2.025631000	-1.816697000
 C	 5.883560000	 0.707664000	-1.951261000
 H	 6.154644000	 2.826675000	 3.771141000
 H	 4.237421000	-0.401147000	 3.719191000
 C	 4.201432000	 1.251967000	 5.059463000
 C	 6.212104000	-0.178152000	 4.516379000
 H	 6.612682000	 4.162843000	 1.751398000
 H	 3.334715000	 1.587375000	-2.744028000
 H	 2.870571000	 2.292010000	-1.173288000
 H	 4.233936000	 2.958613000	-2.072548000
 H	 6.502260000	 1.597532000	-2.112775000
 H	 5.583479000	 0.323364000	-2.932491000
 H	 6.500068000	-0.051922000	-1.459889000
 H	 4.847636000	 2.044965000	 5.451998000
 H	 3.922295000	 0.607606000	 5.900098000
 H	 3.291457000	 1.721901000	 4.672313000
 H	 6.917839000	 0.610277000	 4.802974000
 H	 6.700456000	-0.809778000	 3.766971000
 H	 6.011907000	-0.791989000	 5.401281000
 C	 1.701727000	-3.053007000	 0.080905000
 C	 0.562841000	-3.635988000	 0.661047000
 C	 1.975655000	-3.167734000	-1.296058000
 C	-0.299572000	-4.355164000	-0.169750000
 C	 0.235473000	-3.474661000	 2.135637000
 C	 1.099000000	-3.920679000	-2.078162000
 C	 3.172640000	-2.495740000	-1.949915000
 H	-1.193474000	-4.806337000	 0.250677000
 C	-0.031360000	-4.508197000	-1.523190000
 H	 1.100193000	-3.020609000	 2.625886000
 C	-0.953294000	-2.518901000	 2.312406000
 C	-0.029709000	-4.820610000	 2.821696000
 H	 1.300729000	-4.045018000	-3.138943000
 H	 3.684941000	-1.896059000	-1.194823000
 C	 2.739943000	-1.544240000	-3.072791000
 C	 4.187067000	-3.525304000	-2.463491000
 H	-0.707498000	-5.082154000	-2.149517000
 H	-1.180001000	-2.381013000	 3.375336000
 H	-0.740419000	-1.536106000	 1.877193000
 H	-1.851941000	-2.911692000	 1.822575000
 H	-0.931778000	-5.306905000	 2.433935000
 H	-0.173012000	-4.669085000	 3.896946000
 H	 0.812215000	-5.506514000	 2.682284000
 H	 2.292762000	-2.089375000	-3.911543000
 H	 3.605140000	-0.994589000	-3.459221000
 H	 2.003038000	-0.811199000	-2.722005000
 H	 3.748994000	-4.158480000	-3.243578000
 H	 4.531402000	-4.174414000	-1.652167000
 H	 5.058971000	-3.017236000	-2.889699000
 P	 2.450135000	-0.679613000	 1.224406000
 O	 1.879404000	-0.543351000	 2.744914000
 C	 1.025481000	 0.564292000	 3.095801000
 H	 0.201468000	 0.633194000	 2.376236000
 H	 1.602493000	 1.494304000	 3.048658000
 C	 0.488457000	 0.325633000	 4.488085000
 H	-0.167654000	 1.154619000	 4.770536000
 H	-0.087812000	-0.602957000	 4.521890000
 H	 1.304109000	 0.260942000	 5.213902000
 C	-0.971770000	 1.684916000	-0.123405000
 C	-1.927558000	 0.939856000	 0.581975000
 C	-0.502420000	 2.890702000	 0.423575000
 C	-2.397795000	 1.401956000	 1.808155000
 H	-2.286961000	 0.002360000	 0.180268000
 C	-0.985946000	 3.342233000	 1.645965000
 H	 0.243706000	 3.485229000	-0.096822000
 C	-1.933060000	 2.598712000	 2.346114000
 H	-3.134467000	 0.812136000	 2.343799000
 H	-0.613849000	 4.277538000	 2.050604000
 H	-2.303733000	 2.949126000	 3.303613000
 O	-0.485710000	-0.041408000	-3.407070000

-C -N -O -P -H 0
cc-pVTZ
****
-Cu 0
cc-pVTZ
F  1  1.0
3.525    1.000
****










































