%chk=000011479.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000011479 0 1 O 1.047500 -0.2426000 2.195300 O 2.445300 -1.479400 8.7399997E-02 O 1.845200 -0.5491000 -1.891000 N 1.443600 1.877100 -0.8294000 C 0.6487000 0.6629000 1.163500 C 1.779600 0.8190000 0.1290000 C -0.6730000 0.2591000 0.5376000 C -1.547900 1.244600 0.1202000 C -0.9691000 -1.084300 0.4009000 C 2.008900 -0.4476000 -0.6815000 C -2.763100 0.8731000 -0.4550000 C -2.184300 -1.455700 -0.1745000 C -3.081300 -0.4770000 -0.6025000 H 0.5008000 1.623200 1.676100 H 2.726000 1.070200 0.6221000 H -1.314400 2.298800 0.2350000 H -0.2864000 -1.862200 0.7281000 H 2.234200 2.035700 -1.453300 H 1.297500 2.753900 -0.3304000 H 1.879600 9.0300001E-02 2.572600 H -3.462200 1.635100 -0.7870000 H -2.432400 -2.506900 -0.2891000 H -4.027700 -0.7661000 -1.050100 H 2.597100 -2.291000 -0.4423000 %chk=000011479-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000011479 0 1 O 1.136667 -0.198075 2.310965 O 2.448939 -1.363702 0.191655 O 2.098997 -0.347562 -1.867806 N 1.498311 2.165617 -0.608993 C 0.666337 0.712822 1.272418 C 1.811791 1.002008 0.215566 C -0.643023 0.270588 0.614185 C -1.513439 1.241524 0.053710 C -1.010147 -1.096201 0.550687 C 2.123219 -0.252569 -0.627369 C -2.715406 0.850657 -0.578199 C -2.212681 -1.487746 -0.079537 C -3.067055 -0.517098 -0.651518 H 0.514201 1.679612 1.779610 H 2.707566 1.220158 0.827592 H -1.251158 2.303532 0.127975 H -0.374588 -1.849869 1.027761 H 0.806625 1.974448 -1.341543 H 2.319860 2.648621 -0.981911 H 1.618963 -0.953074 1.875491 H -3.380575 1.611624 -1.001971 H -2.488245 -2.548022 -0.115575 H -4.001483 -0.821764 -1.135970 H 2.618522 -2.164428 -0.375523