%nprocshared=8 %mem=22000MB #p scrf=(solvent=water,SMD) opt freq nosymm bp86/genecp empiricaldispersion=gd3 scf=xqc Title Card Required 1 3 C 0.029805 0.451861 0.054038 H 0.033996 1.548842 -0.045349 C 1.157883 -0.232987 0.700966 H 1.995703 0.352486 1.109046 C -2.087233 0.297289 -1.055606 H -3.002711 0.000148 -0.514301 H -2.034611 1.399605 -1.114607 H -2.14075 -0.118952 -2.076548 C 2.20758 -2.270002 1.383158 H 3.010138 -1.609311 1.757976 H 1.79231 -2.868718 2.212872 H 2.600302 -2.980492 0.630174 N -0.93713 -0.286896 -0.383485 N 1.117901 -1.52729 0.769935 C -0.316888 -4.690623 1.60563 C -1.567583 -4.472711 2.224466 C 0.772532 -5.188475 2.351466 C -1.721518 -4.755362 3.586403 H -2.393965 -4.077917 1.621901 C 0.605841 -5.463869 3.716294 H 1.729761 -5.378149 1.852978 C -0.636685 -5.246483 4.337964 H -2.691951 -4.592303 4.066399 H 1.446536 -5.863011 4.2931 H -0.762176 -5.465591 5.40295 Cu -0.455637 -2.317565 -0.24845 N 0.55102 -2.471403 -2.247089 H -0.31432 -2.805472 -2.707113 C 0.935645 -1.255031 -2.733562 C 0.160587 -0.497142 -3.674458 C 2.169356 -0.6948 -2.259721 C 0.589044 0.761145 -4.091907 H -0.770497 -0.929753 -4.06038 C 2.587544 0.56248 -2.689837 H 2.776645 -1.299747 -1.578308 C 1.797479 1.302822 -3.598402 H -0.007565 1.329586 -4.813068 H 3.539113 0.973518 -2.336183 H 2.131004 2.289534 -3.935077 N -0.155664 -4.361639 0.227966 H 0.765951 -4.633101 -0.189185 O -2.011416 -3.012809 -1.060706 H -0.948946 -4.666952 -0.357271 H -2.708048 -2.33049 -1.163465 O 2.289523 -4.236846 -1.078367 H 2.732765 -4.841964 -1.706027 H 1.733307 -3.59962 -1.637319 -H -C -N -O 0 6-31g(d) **** -Cu 0 sdd **** Cu 0 sdd