%chk=000040175.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000040175 0 1 O -1.136400 1.575100 1.482000 O 2.934300 1.731500 -0.8681000 O -2.534200 2.133300 -0.2139000 O 4.223400 -0.2763000 0.5568000 N -3.572200 -0.4241000 -0.1147000 C -1.238500 -0.7983000 -0.7624000 C -2.182400 -0.2241000 0.3041000 C 0.2166000 -0.6562000 -0.4125000 C 0.9081000 0.4822000 -0.8061000 C 0.8521000 -1.665300 0.2997000 C -1.985300 1.274000 0.4645000 C 2.258500 0.6138000 -0.4818000 C 2.202200 -1.533700 0.6238000 C -3.851700 -1.837800 -0.3045000 C 2.905300 -0.3942000 0.2332000 H -1.413000 -1.866900 -0.9334000 H -1.418300 -0.3129000 -1.732400 H -2.020300 -0.6994000 1.280300 H -4.188600 -6.1799999E-02 0.6134000 H 0.4044000 1.265400 -1.366900 H 0.3133000 -2.555700 0.6115000 H 2.700100 -2.322000 1.181800 H -3.467700 -2.213300 -1.257400 H -4.937800 -1.977200 -0.3470000 H -3.482000 -2.456200 0.5204000 H -1.020000 2.543500 1.586200 H 2.327100 2.318600 -1.350400 H 4.549100 0.5720000 0.2086000 %chk=000040175-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000040175 0 1 O -2.269044 0.891297 1.872551 O 3.098361 1.968951 -0.421244 O -1.922170 1.827040 -0.224863 O 4.465676 -0.182050 0.475761 N -3.400673 -1.024627 -0.423152 C -1.028225 -0.867147 -1.150365 C -2.034655 -0.658745 0.010529 C 0.425541 -0.683751 -0.738095 C 1.043263 0.593678 -0.805038 C 1.185978 -1.781810 -0.261579 C -2.021770 0.802897 0.494216 C 2.379031 0.748749 -0.398359 C 2.530322 -1.623226 0.146203 C -4.420958 -1.230697 0.623261 C 3.134262 -0.354141 0.080316 H -1.199923 -1.892499 -1.523119 H -1.289469 -0.164454 -1.965135 H -1.763113 -1.305356 0.863204 H -3.724117 -0.445606 -1.208973 H 0.465776 1.454578 -1.165943 H 0.726474 -2.776132 -0.216036 H 3.122606 -2.468210 0.509401 H -4.078091 -2.022915 1.312905 H -5.354681 -1.579330 0.147846 H -4.652779 -0.331447 1.237088 H -2.324161 1.850811 2.138273 H 2.541535 2.715285 -0.748049 H 4.711105 0.772856 0.353197