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

ts-N2extr_TS1_s8sp83_ccpVTZ

1 1
 Cu	 1.223386000	 0.357017000	-0.092499000
 C	-0.415778000	 1.015058000	-1.001567000
 C	-1.249406000	-0.180354000	-1.340792000
 O	-1.919423000	-0.673120000	-0.457256000
 C	-1.838341000	-1.875590000	-2.862490000
 H	-1.563095000	-2.622330000	-2.114686000
 N	 0.150139000	 1.551388000	-2.639152000
 N	 0.664150000	 2.039612000	-3.481897000
 C	-1.450362000	-2.299709000	-4.259174000
 H	-1.973431000	-3.227012000	-4.511228000
 H	-1.723897000	-1.536813000	-4.993715000
 H	-0.373990000	-2.482969000	-4.320746000
 H	-2.907372000	-1.664945000	-2.775985000
 N	 4.281754000	-0.523783000	 1.363888000
 N	 2.876982000	-2.374275000	 0.753423000
 C	 5.003316000	-1.733090000	 1.282387000
 C	 4.224894000	-2.765519000	 0.937467000
 H	 6.059953000	-1.733184000	 1.505640000
 H	 4.499179000	-3.800627000	 0.799404000
 C	 4.889005000	 0.739048000	 1.658800000
 C	 5.088493000	 1.655788000	 0.611277000
 C	 5.287999000	 1.018300000	 2.978393000
 C	 5.708764000	 2.869845000	 0.911372000
 C	 4.681323000	 1.351787000	-0.820589000
 C	 5.919394000	 2.238909000	 3.224726000
 C	 5.073366000	 0.033388000	 4.116400000
 H	 5.882069000	 3.593310000	 0.119695000
 C	 6.127007000	 3.158619000	 2.204389000
 H	 4.138335000	 0.403452000	-0.822301000
 C	 3.735789000	 2.419258000	-1.383132000
 C	 5.912405000	 1.159352000	-1.714843000
 H	 6.253360000	 2.474072000	 4.231255000
 H	 4.441744000	-0.779403000	 3.750012000
 C	 4.334403000	 0.680009000	 5.295230000
 C	 6.407069000	-0.573803000	 4.574795000
 H	 6.619015000	 4.102919000	 2.417076000
 H	 3.381529000	 2.124955000	-2.376966000
 H	 2.866565000	 2.559078000	-0.727230000
 H	 4.228780000	 3.392367000	-1.481701000
 H	 6.514117000	 2.074007000	-1.763850000
 H	 5.607404000	 0.900782000	-2.735043000
 H	 6.547171000	 0.353584000	-1.332012000
 H	 4.945146000	 1.443898000	 5.789336000
 H	 4.086341000	-0.080223000	 6.043795000
 H	 3.403807000	 1.154948000	 4.967439000
 H	 7.075835000	 0.199938000	 4.969616000
 H	 6.923738000	-1.074414000	 3.749206000
 H	 6.237131000	-1.310769000	 5.367191000
 C	 1.994579000	-3.080274000	-0.132431000
 C	 0.920825000	-3.809677000	 0.404289000
 C	 2.240072000	-3.027223000	-1.518119000
 C	 0.093538000	-4.503664000	-0.482388000
 C	 0.627104000	-3.831743000	 1.894110000
 C	 1.399918000	-3.755539000	-2.360686000
 C	 3.362205000	-2.193243000	-2.116781000
 H	-0.749596000	-5.068821000	-0.096157000
 C	 0.336612000	-4.490457000	-1.849947000
 H	 1.468751000	-3.363020000	 2.410029000
 C	-0.625376000	-2.997458000	 2.196440000
 C	 0.488145000	-5.258857000	 2.438139000
 H	 1.578494000	-3.746713000	-3.432430000
 H	 3.891347000	-1.691415000	-1.302928000
 C	 2.803347000	-1.101979000	-3.038884000
 C	 4.394038000	-3.063852000	-2.844007000
 H	-0.310393000	-5.046582000	-2.522247000
 H	-0.823660000	-2.981161000	 3.273739000
 H	-0.506269000	-1.965021000	 1.850004000
 H	-1.507574000	-3.413655000	 1.696357000
 H	-0.385277000	-5.772205000	 2.020760000
 H	 0.365918000	-5.232096000	 3.526281000
 H	 1.375924000	-5.857105000	 2.208381000
 H	 2.299450000	-1.525239000	-3.914610000
 H	 3.608585000	-0.449314000	-3.393304000
 H	 2.071259000	-0.481480000	-2.507244000
 H	 3.947361000	-3.587857000	-3.696530000
 H	 4.816769000	-3.813629000	-2.167624000
 H	 5.212785000	-2.441813000	-3.221621000
 P	 2.625351000	-0.787717000	 1.237334000
 O	 2.053053000	-0.851463000	 2.764342000
 C	 1.134873000	 0.155550000	 3.232303000
 H	 0.295960000	 0.244276000	 2.529226000
 H	 1.651180000	 1.121031000	 3.277206000
 C	 0.644011000	-0.260869000	 4.600831000
 H	-0.051090000	 0.490586000	 4.987205000
 H	 0.125549000	-1.221695000	 4.545444000
 H	 1.481677000	-0.353391000	 5.297971000
 C	-1.122690000	 2.207794000	-0.507688000
 C	-2.449535000	 2.480201000	-0.884724000
 C	-0.461227000	 3.090066000	 0.359623000
 C	-3.097994000	 3.603590000	-0.395877000
 H	-2.971126000	 1.808467000	-1.560479000
 C	-1.112649000	 4.215358000	 0.849382000
 H	 0.564832000	 2.887281000	 0.655573000
 C	-2.428925000	 4.470762000	 0.470156000
 H	-4.122423000	 3.807842000	-0.688216000
 H	-0.597254000	 4.890363000	 1.524058000
 H	-2.939071000	 5.349912000	 0.850891000
 O	-1.114863000	-0.653470000	-2.567294000

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















