%chk=000002015.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000002015 0 1 O 0.000000 2.517200 -2.0999999E-03 N 0.000000 -1.532600 -1.9000000E-03 C -1.278300 0.5344000 -6.9999998E-04 C 1.278300 0.5344000 -6.9999998E-04 C -1.234300 -0.8698000 -1.2000001E-03 C 1.234100 -0.8697000 -1.3000000E-03 C 0.000000 1.293100 -1.1000000E-03 C -2.501400 1.211100 8.9999998E-04 C 2.501300 1.211100 7.9999998E-04 C -2.436100 -1.585800 -3.0000001E-04 C 2.436100 -1.585700 -3.9999999E-04 C -3.690400 0.4828000 2.3000001E-03 C 3.690500 0.4828000 2.4999999E-03 C -3.658400 -0.9115000 1.7000000E-03 C 3.658600 -0.9116000 1.6000000E-03 H 0.000000 -2.544200 -2.7999999E-03 H -2.547500 2.296300 1.4000000E-03 H 2.547400 2.296400 1.3000000E-03 H -2.429600 -2.673000 -5.0000002E-04 H 2.429600 -2.673000 -7.9999998E-04 H -4.644200 1.002500 3.7000000E-03 H 4.644200 1.002600 4.1000000E-03 H -4.587300 -1.474700 2.7000001E-03 H 4.587500 -1.474800 2.6000000E-03 %chk=000002015-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000002015 0 1 O -0.000006 2.624840 0.001767 N 0.000009 -1.539186 -0.000384 C -1.257717 0.556729 0.000282 C 1.257719 0.556738 0.000284 C -1.228957 -0.873679 -0.000097 C 1.228972 -0.873673 -0.000095 C -0.000001 1.347365 -0.000081 C -2.515967 1.216322 0.000848 C 2.515967 1.216339 0.000844 C -2.445150 -1.613006 0.000025 C 2.445170 -1.612992 0.000025 C -3.716084 0.488771 0.000973 C 3.716087 0.488797 0.000987 C -3.673901 -0.933881 0.000556 C 3.673912 -0.933854 0.000553 H 0.000012 -2.560561 -0.000667 H -2.503947 2.311537 0.001116 H 2.503937 2.311554 0.001120 H -2.418144 -2.709760 -0.000211 H 2.418170 -2.709744 -0.000200 H -4.679455 1.008367 0.001396 H 4.679457 1.008396 0.001419 H -4.606881 -1.508576 0.000669 H 4.606898 -1.508543 0.000673