%chk=000095664.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000095664 0 1 O 1.381300 -2.445600 0.9925000 O -0.3929000 -1.175500 -1.746000 O 3.433900 -2.300700 4.3600000E-02 O 2.784200 2.970500 0.8513000 O 2.003500 2.322700 -1.179600 N 0.5318000 -0.1633000 0.1244000 C 1.911600 -0.4293000 -0.2047000 C 2.834200 0.6432000 0.3810000 C -0.5183000 -0.5655000 -0.6874000 C 2.337500 -1.806400 0.2771000 C -1.878800 -0.1920000 -0.2219000 C 2.487100 2.039100 -9.2799999E-02 C -2.881600 -3.2200001E-02 -1.155600 C -2.096000 -1.7300000E-02 1.129100 C -4.159000 0.3184000 -0.7187000 C -3.373500 0.3331000 1.565900 C -4.405000 0.5009000 0.6419000 H 1.995100 -0.4410000 -1.298600 H 3.879000 0.4491000 0.1137000 H 2.763400 0.6208000 1.476200 H 0.3588000 0.3598000 0.9756000 H -2.705500 -0.1656000 -2.218800 H -1.333400 -0.1750000 1.884300 H -4.962100 0.4498000 -1.438000 H -3.568000 0.4669000 2.626100 H -5.400100 0.7721000 0.9823000 H 1.677300 -3.332000 1.290900 H 2.562900 3.877900 0.5516000 %chk=000095664-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000095664 0 1 O 1.352506 -2.590320 0.887716 O -0.264088 -0.648260 -1.833679 O 3.586518 -2.124348 0.467527 O 3.007468 3.101277 0.411707 O 2.476702 2.049861 -1.591780 N 0.507361 -0.105030 0.289508 C 1.895708 -0.395818 -0.045902 C 2.869169 0.700970 0.443345 C -0.514670 -0.312206 -0.635890 C 2.388740 -1.764500 0.457353 C -1.917137 -0.085369 -0.139672 C 2.744088 1.971592 -0.375678 C -2.906714 0.240677 -1.101897 C -2.289990 -0.220139 1.223606 C -4.242124 0.457859 -0.705331 C -3.629521 -0.009944 1.618541 C -4.606580 0.337417 0.657039 H 1.931994 -0.442453 -1.155820 H 3.903455 0.322241 0.332199 H 2.725433 0.934602 1.512476 H 0.277384 0.161902 1.247000 H -2.603890 0.311056 -2.151633 H -1.558122 -0.535459 1.977717 H -4.998399 0.716846 -1.454157 H -3.912887 -0.127407 2.670215 H -5.644971 0.501730 0.965555 H 1.725562 -3.480322 1.134578 H 2.964407 3.916447 -0.159242