%chk=000124897.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124897 0 1 O -0.9566000 -1.825400 0.6992000 O 2.942900 0.3520000 -0.7616000 O -0.9147000 -1.140100 -1.462900 O 2.069800 -0.4822000 1.167000 N -1.657200 1.354800 -0.1037000 N -2.858100 0.8145000 0.4427000 C -0.5455000 0.4978000 0.3086000 C 0.7798000 1.082300 -0.1956000 C -0.8290000 -0.8795000 -0.2700000 C 1.968700 0.2257000 0.1764000 H -0.5024000 0.4272000 1.404200 H 0.9483000 2.082800 0.2192000 H 0.7478000 1.167600 -1.289800 H -1.518700 2.298600 0.2562000 H -2.854500 0.9317000 1.455700 H -3.648700 1.360200 0.1025000 H -1.127800 -2.714200 0.3211000 H 3.730100 -0.1924000 -0.5466000 %chk=000124897-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000124897 0 1 O -1.811843 -1.616289 0.379412 O 3.132395 0.742547 -0.549925 O -0.258131 -1.444688 -1.337438 O 2.069767 -0.627343 0.995215 N -1.683941 1.298088 -0.018273 N -2.816636 1.233652 0.839562 C -0.517443 0.422207 0.293656 C 0.761293 1.016221 -0.316388 C -0.794504 -0.955285 -0.321566 C 2.004760 0.271997 0.129762 H -0.384405 0.287025 1.390748 H 0.873763 2.076375 -0.014859 H 0.714883 0.991663 -1.419287 H -1.421042 2.269822 -0.213814 H -2.580811 1.162974 1.843980 H -3.451375 0.481787 0.551548 H -1.998113 -2.488557 -0.064736 H 3.935583 0.239203 -0.244998