%chk=000064354.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000064354 0 1 O 2.546500 -0.4956000 -1.192500 O 2.698000 -0.5623000 1.080900 N 1.298700 1.958900 1.3100000E-02 C -4.1499998E-02 0.2673000 1.274300 C 2.4000001E-03 0.2282000 -1.247600 C -2.146500 0.7941000 -3.1099999E-02 C -1.263200 -1.561300 1.9500000E-02 C 0.8289000 0.5696000 2.3399999E-02 C -1.334300 1.116200 1.234700 C -0.4600000 -1.221200 1.289200 C -1.290700 1.078100 -1.277800 C -0.4216000 -1.259300 -1.234600 C -2.532800 -0.6939000 -1.4200000E-02 C 2.116100 -0.2189000 6.2700003E-02 H 0.5085000 0.4902000 2.197400 H 0.5648000 0.4340000 -2.166900 H -3.052700 1.409500 -5.6100000E-02 H -1.542600 -2.620700 3.1099999E-02 H -1.093100 2.185300 1.263800 H -1.939400 0.9115000 2.126900 H -1.068600 -1.426000 2.179100 H 0.4164000 -1.874700 1.359500 H -1.865700 0.8467000 -2.183400 H -1.047700 2.146000 -1.330600 H 0.4495000 -1.922700 -1.260400 H -1.005100 -1.485700 -2.136100 H -3.159000 -0.9098000 0.8602000 H -3.130900 -0.9370000 -0.9009000 H 1.889900 2.129800 -0.7990000 H 1.858900 2.153100 0.8418000 H 3.382400 -1.008900 -1.188300 %chk=000064354-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000064354 0 1 O 2.761391 -0.372137 -1.209604 O 2.705013 -0.754270 1.074961 N 1.256000 1.937991 -0.023032 C -0.042342 0.236991 1.268322 C -0.028374 0.190763 -1.267993 C -2.153960 0.816343 -0.021891 C -1.318337 -1.577474 0.026668 C 0.824349 0.514945 0.000015 C -1.306921 1.136968 1.240211 C -0.479369 -1.254949 1.292322 C -1.292364 1.090588 -1.284351 C -0.457228 -1.302629 -1.236626 C -2.582749 -0.676394 -0.000251 C 2.135128 -0.300223 0.055269 H 0.564516 0.453270 2.169960 H 0.583782 0.380285 -2.170371 H -3.052355 1.464445 -0.038215 H -1.617619 -2.644157 0.044062 H -1.017781 2.203682 1.236066 H -1.899740 0.950127 2.158127 H -1.083985 -1.434501 2.203230 H 0.403778 -1.917316 1.356412 H -1.876215 0.874522 -2.201817 H -0.997565 2.155369 -1.313856 H 0.431897 -1.963798 -1.249135 H -1.038760 -1.530163 -2.151747 H -3.210317 -0.880483 0.890750 H -3.196733 -0.908703 -0.893917 H 1.792080 2.190940 -0.860919 H 1.710416 2.247802 0.843861 H 3.649964 -0.807334 -1.098410