%chk=000119406.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000119406 0 1 O 0.2117000 -2.080100 -0.7079000 N -0.8412000 2.370700 0.1614000 N 3.599100 -0.1482000 1.139300 C -0.4054000 0.2193000 -0.2375000 C -1.400800 1.112800 0.1638000 C 0.7695000 0.9845000 -0.4801000 C -0.7186000 -1.152000 -0.3210000 C 0.4700000 2.303200 -0.2267000 C -2.698900 0.7019000 0.4872000 C 2.081900 0.4732000 -0.9251000 C -2.012800 -1.577500 -5.0000002E-04 C -2.986300 -0.6632000 0.3971000 C 2.935000 0.1232000 0.2273000 C 0.9970000 -2.667900 0.3227000 H -1.328600 3.220300 0.4101000 H 1.070300 3.200500 -0.2867000 H -3.457400 1.413100 0.7968000 H 2.591800 1.237300 -1.525300 H 1.966400 -0.3925000 -1.585300 H -2.267500 -2.632900 -6.1299998E-02 H -3.985200 -1.015500 0.6412000 H 0.5054000 -3.581600 0.6703000 H 1.140700 -1.992700 1.172300 H 1.973000 -2.933900 -9.2200004E-02 %chk=000119406-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000119406 0 1 O 0.700497 -1.828037 -0.215139 N -1.004716 2.511619 -0.137759 N 3.737579 0.308370 1.313366 C -0.286929 0.351221 -0.124646 C -1.421601 1.198284 0.110092 C 0.821613 1.199583 -0.517538 C -0.440746 -1.054467 0.051850 C 0.344880 2.510214 -0.513707 C -2.682876 0.700353 0.516948 C 2.235344 0.766491 -0.851246 C -1.687530 -1.568138 0.463772 C -2.789670 -0.690691 0.690506 C 3.066639 0.509614 0.347280 C 0.621540 -3.266407 0.052869 H -1.592160 3.338135 -0.056273 H 0.869548 3.435754 -0.743355 H -3.537541 1.360936 0.693943 H 2.743845 1.539143 -1.458156 H 2.214551 -0.164735 -1.445338 H -1.829074 -2.642445 0.611670 H -3.745499 -1.121366 1.008697 H -0.126341 -3.755333 -0.601396 H 0.372522 -3.459493 1.113731 H 1.625223 -3.656606 -0.170269