%chk=CuCO4UFF.chk %mem=1400MW %nproc=4 #p opt UFF CuCO4UFF 0 1 Cu -1.15727233 4.55429741 -3.36097668 C -0.48634333 3.37902641 -1.94432168 O 0.22827467 2.44745341 -1.79867768 Cu 3.49577116 6.83074156 -4.89869929 C 4.16670016 5.65547056 -3.48204429 O 4.88131816 4.72389756 -3.33640029 Cu 0.77567437 -3.56958098 2.26500702 C 1.44660337 -4.74485198 3.68166202 O 2.16122137 -5.67642498 3.82730602 Cu 4.15699500 2.29218289 -1.73573802 C 4.82792400 1.11691189 -0.31908302 O 5.54254200 0.18533889 -0.17343902 1 2 1.0 2 3 2.0 3 4 5 1.0 5 6 2.0 6 7 8 1.0 8 9 2.0 9 10 11 1.0 11 12 2.0 12 $nbo bndidx $end