%chk=000150105.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000150105 0 1 O 3.175500 1.987400 -9.9999997E-05 N -0.5955000 -0.5790000 5.0000002E-04 N 0.2354000 1.520400 3.9999999E-04 N 1.533500 -1.777200 9.9999997E-05 C 0.7647000 -0.6743000 6.0000003E-04 C -0.8714000 0.7940000 3.9999999E-04 C 1.253000 0.6094000 3.0000001E-04 C -1.580800 -1.559700 3.0000001E-04 C -2.246000 1.175600 -9.9999997E-05 C -3.213800 0.2329000 -9.9999997E-05 C -2.871300 -1.188800 1.9999999E-04 C 2.677800 0.8704000 -9.9999997E-05 C 2.902600 -1.593600 -6.0000003E-04 C 3.509500 -0.3895000 -7.9999998E-04 C -4.673100 0.5718000 -1.0000000E-03 H -1.271600 -2.597700 3.9999999E-04 H -2.489600 2.232900 -3.9999999E-04 H 1.182700 -2.728100 -1.9999999E-04 H -3.665200 -1.927000 9.9999997E-05 H 3.462000 -2.521200 -1.0000000E-03 H 4.588000 -0.2886000 -1.3000000E-03 H -5.163400 0.1608000 -0.8900000 H -4.840700 1.654300 -1.4000000E-03 H -5.164400 0.1613000 0.8878000 %chk=000150105-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000150105 0 1 O 3.286740 2.042058 -0.000317 N -0.592070 -0.622798 -0.000224 N 0.229813 1.547133 -0.000327 N 1.593950 -1.830086 -0.000079 C 0.796191 -0.699778 -0.000149 C -0.898422 0.799521 -0.000325 C 1.287639 0.631782 -0.000229 C -1.596024 -1.589674 -0.000170 C -2.271167 1.179147 -0.000386 C -3.284964 0.218742 -0.000352 C -2.917648 -1.182441 -0.000240 C 2.744227 0.890021 -0.000170 C 2.979615 -1.632796 -0.000114 C 3.530349 -0.367675 -0.000177 C -4.751751 0.598722 -0.000404 H -1.293383 -2.640567 -0.000048 H -2.489185 2.250589 -0.000450 H 1.205398 -2.772550 -0.000087 H -3.700598 -1.947236 -0.000193 H 3.585335 -2.542782 -0.000085 H 4.619487 -0.263395 -0.000216 H -5.270147 0.193608 -0.890467 H -4.885295 1.693282 -0.000451 H -5.270192 0.193676 0.889660