%nprocshared=24
%mem=110GB
#p wb97xd genecp nosymm scf=yqc scrf=(pcm,solvent=dichloromethane)

int_tsN2extr_ccpVTZ

1 1
 N	 0.500459000	 0.746944000	-0.009553000
 N	 1.161214000	 0.291390000	 0.814267000
 C	 1.889486000	-0.202669000	 1.747299000
 C	 2.930012000	-1.181792000	 1.317212000
 O	 3.647984000	-1.758812000	 2.098178000
 C	 3.838348000	-2.300776000	-0.565101000
 H	 4.768916000	-2.276445000	 0.004330000
 H	 4.022184000	-1.942209000	-1.577814000
 C	 3.207459000	-3.678805000	-0.559751000
 H	 2.271143000	-3.677867000	-1.125919000
 H	 3.007878000	-4.013034000	 0.462342000
 H	 3.891559000	-4.393082000	-1.027662000
 N	-4.059313000	-1.414337000	 0.280120000
 N	-4.010941000	-1.172913000	-2.114084000
 C	-4.941756000	-2.311362000	-0.362367000
 C	-4.905812000	-2.185369000	-1.694964000
 H	-5.550820000	-2.977030000	 0.231071000
 H	-5.468015000	-2.730946000	-2.438061000
 C	-3.722050000	-1.465167000	 1.674175000
 C	-2.582988000	-2.196663000	 2.070440000
 C	-4.534498000	-0.790170000	 2.601618000
 C	-2.275194000	-2.238631000	 3.430139000
 C	-1.728953000	-2.948874000	 1.060318000
 C	-4.187238000	-0.870187000	 3.953077000
 C	-5.790677000	-0.043966000	 2.179866000
 H	-1.402045000	-2.785422000	 3.769584000
 C	-3.070415000	-1.583923000	 4.364182000
 H	-1.757122000	-2.387385000	 0.120105000
 C	-0.258363000	-3.064192000	 1.470416000
 C	-2.311921000	-4.340226000	 0.771925000
 H	-4.802132000	-0.370270000	 4.694988000
 H	-5.733168000	 0.139309000	 1.103568000
 C	-5.934504000	 1.317928000	 2.871045000
 C	-7.032847000	-0.910292000	 2.440064000
 H	-2.814991000	-1.632716000	 5.418447000
 H	 0.341088000	-3.399004000	 0.618139000
 H	 0.137659000	-2.104391000	 1.814560000
 H	-0.113940000	-3.791356000	 2.276488000
 H	-2.341525000	-4.937427000	 1.690238000
 H	-1.688074000	-4.868805000	 0.042032000
 H	-3.326193000	-4.277472000	 0.367615000
 H	-6.130027000	 1.214016000	 3.943893000
 H	-6.779911000	 1.864130000	 2.439468000
 H	-5.034756000	 1.931091000	 2.751734000
 H	-7.138023000	-1.124836000	 3.510003000
 H	-6.973900000	-1.865674000	 1.909141000
 H	-7.936924000	-0.390082000	 2.105733000
 C	-3.407291000	-1.146558000	-3.416895000
 C	-3.832694000	-0.185754000	-4.348997000
 C	-2.401530000	-2.084816000	-3.717730000
 C	-3.205223000	-0.165148000	-5.597081000
 C	-4.929172000	 0.817858000	-4.035126000
 C	-1.815406000	-2.032299000	-4.982942000
 C	-1.958735000	-3.149767000	-2.726852000
 H	-3.506613000	 0.573290000	-6.334457000
 C	-2.206910000	-1.077175000	-5.913614000
 H	-5.350717000	 0.562776000	-3.060228000
 C	-4.351851000	 2.235708000	-3.930098000
 C	-6.067252000	 0.756363000	-5.062270000
 H	-1.041482000	-2.748373000	-5.244853000
 H	-2.495293000	-2.988831000	-1.788850000
 C	-0.458296000	-3.064679000	-2.418686000
 C	-2.340607000	-4.551857000	-3.220185000
 H	-1.735379000	-1.047721000	-6.891268000
 H	-5.138031000	 2.948237000	-3.657040000
 H	-3.566115000	 2.283881000	-3.168137000
 H	-3.919364000	 2.560069000	-4.883852000
 H	-5.731941000	 1.059237000	-6.060608000
 H	-6.875876000	 1.432877000	-4.765102000
 H	-6.477808000	-0.256094000	-5.135193000
 H	 0.151772000	-3.256179000	-3.308109000
 H	-0.189324000	-3.812602000	-1.664321000
 H	-0.178517000	-2.076081000	-2.032195000
 H	-1.821444000	-4.800505000	-4.152727000
 H	-3.417811000	-4.621578000	-3.402055000
 H	-2.070460000	-5.304568000	-2.471517000
 P	-3.439684000	-0.296887000	-0.808652000
 O	-4.370016000	 1.039544000	-0.769585000
 C	-3.876207000	 2.235256000	-0.134992000
 H	-2.982567000	 2.582343000	-0.669177000
 H	-3.596854000	 2.012260000	 0.901180000
 C	-4.974523000	 3.273076000	-0.187348000
 H	-4.632245000	 4.197269000	 0.287435000
 H	-5.245520000	 3.490550000	-1.224106000
 H	-5.862840000	 2.916931000	 0.341789000
 Cu	-1.280410000	 0.191711000	-0.586029000
 C	 1.551515000	 0.114898000	 3.152706000
 C	 2.562068000	 0.245219000	 4.110248000
 C	 0.211315000	 0.270264000	 3.524436000
 C	 2.224782000	 0.530324000	 5.429018000
 H	 3.599691000	 0.117447000	 3.825845000
 C	-0.115799000	 0.559915000	 4.844035000
 H	-0.584835000	 0.139524000	 2.795313000
 C	 0.890335000	 0.691029000	 5.798251000
 H	 3.010478000	 0.630382000	 6.170861000
 H	-1.158783000	 0.667561000	 5.123750000
 H	 0.635557000	 0.913632000	 6.829514000
 O	 2.929738000	-1.321766000	-0.005333000

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



































