%chk=000289576.chk %nprocshared=4 %mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000289576 0 1 O 1.808006 0.736517 0.000256 O -2.389262 -1.152628 0.000781 N 0.795924 1.706001 0.000243 C -0.164987 -0.368219 -0.000063 C 1.209721 -0.518087 0.000033 C -0.387184 1.077712 0.000043 C 2.131834 -1.655594 0.000028 C -1.698223 1.749455 0.000072 C -1.200585 -1.397724 -0.000168 H 1.991355 -2.295259 0.888967 H 1.991125 -2.295462 -0.888726 H 3.189770 -1.334805 -0.000132 H -2.295927 1.444976 0.878613 H -1.619858 2.846487 -0.000263 H -2.296280 1.444432 -0.878033 H -0.828430 -2.436102 -0.000950 %chk=000289576-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000289576 0 1 O 1.811957 0.737489 -0.000110 O -2.410550 -1.272832 -0.000936 N 0.741121 1.778343 -0.000087 C -0.173009 -0.361469 0.000334 C 1.218156 -0.513297 0.000084 C -0.410059 1.075171 0.000145 C 2.137076 -1.692526 0.000086 C -1.724257 1.798059 0.000255 C -1.157968 -1.440395 0.000684 H 1.975809 -2.323603 0.892043 H 1.974987 -2.324251 -0.891258 H 3.185041 -1.353199 -0.000509 H -2.320753 1.514501 0.884456 H -1.562595 2.887818 -0.000172 H -2.321264 1.513851 -0.883387 H -0.726691 -2.471961 -0.000928