%chk=000111239.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000111239 0 1 N 1.957900 -0.1468000 -5.2999998E-03 C -0.4178000 0.3131000 3.0000001E-04 C -1.419500 1.283700 2.4999999E-03 C -0.7575000 -1.039700 -1.4000000E-03 C 3.281500 0.4700000 -5.5999998E-03 C 0.9814000 0.7104000 -1.7000000E-03 C -2.761000 0.9015000 2.6000000E-03 C -2.099000 -1.422000 -1.3000000E-03 C -3.100800 -0.4514000 6.9999998E-04 C 4.334700 -0.6187000 9.1000004E-03 H 3.416100 1.088600 -0.9008000 H 3.409900 1.106100 0.8782000 H -1.170600 2.341800 3.8000001E-03 H 1.2000001E-03 -1.817800 -3.3000000E-03 H 1.191100 1.796000 0.000000 H -3.541100 1.657100 4.1999999E-03 H -2.363900 -2.475300 -2.7999999E-03 H -4.145300 -0.7490000 6.9999998E-04 H 5.338300 -0.1826000 8.6000003E-03 H 4.233700 -1.248700 0.8992000 H 4.240500 -1.266000 -0.8692000 %chk=000111239-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000111239 0 1 N 1.980310 -0.119161 -0.487505 C -0.393204 0.281116 -0.060184 C -1.376331 1.219381 0.353307 C -0.796585 -1.037293 -0.410896 C 3.371700 0.374746 -0.500541 C 1.026882 0.692055 -0.117719 C -2.738047 0.850693 0.417229 C -2.154922 -1.403713 -0.346591 C -3.130771 -0.461907 0.067550 C 4.240028 -0.465709 0.460695 H 3.757561 0.250123 -1.531580 H 3.452041 1.457023 -0.237133 H -1.070550 2.238133 0.624605 H -0.024271 -1.745810 -0.727799 H 1.231749 1.748054 0.177855 H -3.489263 1.581176 0.737516 H -2.460106 -2.420706 -0.617849 H -4.186907 -0.750390 0.116149 H 5.300896 -0.163867 0.388575 H 3.908366 -0.336575 1.506108 H 4.161225 -1.537069 0.206708