%chk=000108811.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108811 0 1 O -0.2108000 0.4485000 7.9999998E-04 O 1.229100 2.244500 1.9999999E-04 N 1.650100 -1.237500 1.5000000E-03 N 4.374400 -0.5705000 -1.1000000E-03 N 3.787900 1.732000 -1.6000000E-03 C -2.587900 0.5249000 -1.9999999E-04 C -1.330000 1.326200 -1.9999999E-04 C -3.175400 0.1490000 -1.208200 C -3.176800 0.1509000 1.207800 C 2.093000 2.2200000E-02 5.0000002E-04 C -4.351700 -0.6006000 -1.208300 C -4.353100 -0.5988000 1.207500 C 1.014200 1.042400 1.0000000E-03 C -4.940500 -0.9745000 -6.0000003E-04 C 3.409300 0.3704000 -6.0000003E-04 C 2.615300 -2.178400 1.2000001E-03 C 3.953300 -1.850800 9.9999997E-05 H -1.293700 1.973200 -0.8858000 H -1.294500 1.974400 0.8847000 H -2.725200 0.4322000 -2.155900 H -2.727700 0.4355000 2.155600 H -4.808800 -0.8937000 -2.148900 H -4.811300 -0.8906000 2.147900 H -5.856200 -1.558500 -6.0000003E-04 H 2.277700 -3.207400 2.0000001E-03 H 4.728000 -2.607400 -1.9999999E-04 H 4.782400 1.924100 -1.1700000E-02 H 3.190300 2.402200 0.4657000 %chk=000108811-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108811 0 1 O -0.252072 0.355515 0.018501 O 1.190555 2.179816 0.041045 N 1.826478 -1.399970 0.005380 N 4.536283 -0.514763 0.043872 N 3.839010 1.716557 0.060027 C -2.677865 0.559231 0.007715 C -1.393309 1.346360 0.020294 C -3.291183 0.203469 -1.219724 C -3.293868 0.169879 1.223613 C 2.118299 -0.066856 0.025278 C -4.497360 -0.531277 -1.233166 C -4.499878 -0.565069 1.214373 C 1.007015 0.919519 0.028684 C -5.104589 -0.916558 -0.015128 C 3.495134 0.396507 0.043456 C 2.859796 -2.279828 0.004333 C 4.208233 -1.828150 0.024484 H -1.277630 1.990002 -0.869568 H -1.286685 1.975554 0.921616 H -2.819428 0.498230 -2.164906 H -2.824169 0.438652 2.177526 H -4.962728 -0.801529 -2.187455 H -4.967180 -0.861523 2.159892 H -6.041498 -1.484882 -0.023983 H 2.610846 -3.344611 -0.011874 H 5.042731 -2.538411 0.026017 H 4.830209 1.952985 0.072807 H 3.086251 2.415050 0.059489