%chk=000044666.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000044666 0 1 N -0.5318000 1.504200 3.9999999E-04 N 4.086800 -1.538700 -3.0000001E-04 C 0.5315000 -0.4559000 5.0000002E-04 C 0.7162000 0.9269000 1.9999999E-04 C -0.8790000 -0.6984000 3.9999999E-04 C -1.515000 0.5432000 9.9999997E-05 C 1.670200 -1.288500 3.9999999E-04 C 1.983200 1.521400 0.000000 C -1.674300 -1.863500 1.9999999E-04 C -2.907900 0.6803000 -3.0000001E-04 C -0.7770000 2.932700 9.9999997E-05 C 2.944000 -0.7087000 -1.9999999E-04 C 3.095800 0.6759000 -6.0000003E-04 C -3.068600 -1.742600 -1.9999999E-04 C -3.674100 -0.4884000 -5.0000002E-04 H 1.554500 -2.369300 6.0000003E-04 H 2.114700 2.598000 4.6999999E-03 H -1.216900 -2.848900 5.0000002E-04 H -3.391700 1.651000 4.4999998E-03 H -0.8307000 3.266300 1.039200 H 3.0600000E-02 3.445800 -0.5268000 H -1.712800 3.146800 -0.5208000 H 4.089200 1.119500 9.9999997E-05 H -3.684000 -2.638200 -9.9999997E-05 H -4.758700 -0.4162000 3.9999999E-04 H 5.010800 -1.127600 -1.1000000E-03 H 3.981500 -2.544500 -3.9999999E-04 %chk=000044666-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000044666 0 1 N -0.556633 1.565582 -0.020570 N 4.119940 -1.564748 0.013837 C 0.545924 -0.478425 -0.005219 C 0.715035 0.947485 -0.004808 C -0.890671 -0.726624 -0.010065 C -1.539791 0.561628 -0.011337 C 1.676361 -1.325265 -0.000275 C 1.998926 1.528821 0.008219 C -1.676936 -1.901799 -0.012375 C -2.947874 0.678191 -0.006802 C -0.782071 3.006500 0.004097 C 2.975966 -0.751914 0.008061 C 3.119297 0.673721 0.013351 C -3.083768 -1.790629 -0.013424 C -3.708497 -0.511392 -0.009779 H 1.557331 -2.415536 -0.001560 H 2.139970 2.614805 0.019721 H -1.201074 -2.889209 -0.012471 H -3.447069 1.653004 0.005029 H -0.630125 3.432735 1.015535 H -0.093426 3.513245 -0.696362 H -1.812499 3.227928 -0.317178 H 4.127300 1.106710 0.024481 H -3.703917 -2.693574 -0.014431 H -4.802702 -0.447002 -0.006171 H 5.048409 -1.155288 0.019403 H 4.039092 -2.576351 0.012094