%chk=000141311.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000141311 0 1 O -2.891600 0.5652000 0.000000 N 1.880000 0.3012000 -9.9999997E-05 C -0.6617000 -0.2923000 0.000000 C 0.2152000 -1.562000 1.2000000E-02 C -0.2769000 0.5456000 1.237500 C -0.2723000 0.5253000 -1.249400 C 1.700400 -1.165500 8.7000001E-03 C 1.225600 0.8684000 1.197200 C 1.228800 0.8537000 -1.206000 C -2.147600 -0.6395000 0.000000 H -2.7000001E-03 -2.184600 -0.8647000 H -3.3000000E-03 -2.168000 0.9001000 H -0.5134000 -1.8000000E-03 2.158400 H -0.8363000 1.488000 1.268500 H -0.8434000 1.460400 -1.300200 H -0.4996000 -4.0600002E-02 -2.161500 H 2.203700 -1.595100 0.8840000 H 2.202700 -1.605300 -0.8621000 H 1.376100 1.955000 1.221000 H 1.714200 0.4861000 2.102300 H 1.722700 0.4639000 -2.105000 H 1.375200 1.940600 -1.240200 H -2.431500 -1.234100 0.8751000 H -2.419300 -1.207200 -0.8960000 H -2.914300 0.9020000 0.9115000 %chk=000141311-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000141311 0 1 O -3.058968 0.511671 0.010844 N 1.906392 0.299299 -0.000326 C -0.657144 -0.278467 0.002903 C 0.200062 -1.577352 0.070861 C -0.288433 0.605711 1.232705 C -0.268203 0.493700 -1.290283 C 1.719201 -1.182353 -0.045291 C 1.270512 0.833309 1.239014 C 1.243433 0.913745 -1.191798 C -2.156454 -0.650119 0.005844 H -0.093440 -2.263483 -0.747926 H 0.001208 -2.103923 1.025802 H -0.618246 0.108763 2.167620 H -0.814800 1.578720 1.164871 H -0.930731 1.370966 -1.406828 H -0.439215 -0.162352 -2.166649 H 2.308968 -1.629400 0.775517 H 2.149679 -1.542951 -0.997259 H 1.511719 1.909003 1.314273 H 1.738691 0.326293 2.102314 H 1.801425 0.603290 -2.093753 H 1.346360 2.010567 -1.100220 H -2.373176 -1.316948 0.870937 H -2.415710 -1.189638 -0.922576 H -2.952431 0.991351 0.870501