%chk=000143333.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000143333 0 1 O -2.288400 -0.8169000 0.1675000 O -2.340300 1.414900 -0.3259000 N -0.3077000 0.3546000 9.8499998E-02 C 0.4303000 -0.9119000 0.4036000 C 1.645300 -0.5899000 1.284400 C 2.509700 0.1611000 0.2595000 C 1.144500 -1.368500 -0.8484000 C 2.346600 -0.7719000 -0.9187000 C 1.810700 1.475100 -2.8999999E-02 C 0.4642000 1.511900 -8.6900003E-02 C -1.700900 0.4034000 -4.1900001E-02 C -3.713900 -0.8618000 3.7400000E-02 H -0.2054000 -1.683900 0.8427000 H 2.143000 -1.505600 1.632400 H 1.390100 1.3600000E-02 2.163800 H 3.540500 0.2811000 0.5986000 H 0.7379000 -2.048800 -1.581100 H 3.054800 -0.8847000 -1.725400 H 2.400600 2.368200 -0.2023000 H -6.2600002E-02 2.433800 -0.3032000 H -4.009900 -0.5839000 -0.9786000 H -4.181800 -0.2005000 0.7728000 H -4.040000 -1.887300 0.2298000 %chk=000143333-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000143333 0 1 O -2.273479 -0.859511 0.170970 O -2.333973 1.437544 -0.315494 N -0.298007 0.329242 0.112410 C 0.443629 -0.953320 0.418726 C 1.643840 -0.591615 1.334793 C 2.546176 0.147066 0.299461 C 1.163925 -1.399140 -0.862497 C 2.369880 -0.764863 -0.932943 C 1.845419 1.469038 -0.037321 C 0.481628 1.497751 -0.114143 C -1.680680 0.398200 -0.037535 C -3.745849 -0.865661 0.043037 H -0.270395 -1.672268 0.837865 H 2.123842 -1.519196 1.689748 H 1.361559 0.038438 2.194188 H 3.589271 0.291962 0.620371 H 0.698667 -2.018783 -1.633555 H 3.067289 -0.785806 -1.775889 H 2.418104 2.378233 -0.238561 H -0.099924 2.386660 -0.369469 H -4.045847 -0.543602 -0.968311 H -4.201051 -0.188770 0.785490 H -4.036722 -1.909499 0.228258