%nproc=4 %mem=2GB #p force fchk=all B3LYP/6-31G** nosym test single point calculation 0 1 N 1.38635000 -0.29197000 0.01352000 N -1.38633000 0.29227000 0.00681000 C 0.91882000 0.97077000 -0.01878000 C -0.44889000 1.25897000 -0.02208000 C -0.91881000 -0.97095000 0.00730000 C 0.44886000 -1.25914000 0.01058000 H 1.66107000 1.76596000 -0.02576000 H -0.80712000 2.28604000 -0.03176000 H 0.80714000 -2.28611000 0.02735000 H -1.66109000 -1.76602000 0.02139000 O 4.17450000 -0.57938000 -0.37886000 H 3.20186000 -0.81182000 -0.38259000 H 4.56688000 -0.80173000 0.51370000 O -3.77040000 0.96374000 -1.49419000 H -3.35189000 1.74003000 -1.96565000 H -3.08717000 0.51682000 -0.91667000 --Link1-- %nproc=4 %mem=2GB #p force fchk=all B3LYP/6-31G** nosym test single point calculation 0 1 N 1.38635000 -0.29197000 0.01352000 N -1.38633000 0.29227000 0.00681000 C 0.91882000 0.97077000 -0.01878000 C -0.44889000 1.25897000 -0.02208000 C -0.91881000 -0.97095000 0.00730000 C 0.44886000 -1.25914000 0.01058000 H 1.66107000 1.76596000 -0.02576000 H -0.80712000 2.28604000 -0.03176000 H 0.80714000 -2.28611000 0.02735000 H -1.66109000 -1.76602000 0.02139000 --Link1-- %nproc=4 %mem=2GB #p force fchk=all B3LYP/6-31G** nosym test single point calculation 0 1 N 1.38635000 -0.29197000 0.01352000 N -1.38633000 0.29227000 0.00681000 C 0.91882000 0.97077000 -0.01878000 C -0.44889000 1.25897000 -0.02208000 C -0.91881000 -0.97095000 0.00730000 C 0.44886000 -1.25914000 0.01058000 H 1.66107000 1.76596000 -0.02576000 H -0.80712000 2.28604000 -0.03176000 H 0.80714000 -2.28611000 0.02735000 H -1.66109000 -1.76602000 0.02139000 O 4.16012000 0.69863000 -0.69684000 H 3.25244000 0.29517000 -0.81266000 H 4.58992000 0.32216000 0.12390000 O -3.65844000 -0.21326000 1.52532000 H -2.76631000 -0.21500000 1.07348000 H -4.13198000 0.64437000 1.32463000 --Link1-- %nproc=4 %mem=2GB #p force fchk=all B3LYP/6-31G** nosym test single point calculation 0 1 N 1.38635000 -0.29197000 0.01352000 N -1.38633000 0.29227000 0.00681000 C 0.91882000 0.97077000 -0.01878000 C -0.44889000 1.25897000 -0.02208000 C -0.91881000 -0.97095000 0.00730000 C 0.44886000 -1.25914000 0.01058000 H 1.66107000 1.76596000 -0.02576000 H -0.80712000 2.28604000 -0.03176000 H 0.80714000 -2.28611000 0.02735000 H -1.66109000 -1.76602000 0.02139000 O 4.04713000 1.18187000 -0.15040000 H 3.41692000 0.51715000 -0.55170000 H 4.16364000 0.98508000 0.82314000 O -3.97139000 0.13072000 1.11181000 H -2.97235000 0.16224000 1.14332000 H -4.28900000 0.49796000 0.23755000 --Link1-- %nproc=4 %mem=2GB #p force fchk=all B3LYP/6-31G** nosym test single point calculation 0 1 N 1.38635000 -0.29197000 0.01352000 N -1.38633000 0.29227000 0.00681000 C 0.91882000 0.97077000 -0.01878000 C -0.44889000 1.25897000 -0.02208000 C -0.91881000 -0.97095000 0.00730000 C 0.44886000 -1.25914000 0.01058000 H 1.66107000 1.76596000 -0.02576000 H -0.80712000 2.28604000 -0.03176000 H 0.80714000 -2.28611000 0.02735000 H -1.66109000 -1.76602000 0.02139000 O 4.37814000 0.71303000 -0.74033000 H 3.46285000 0.46776000 -1.05998000 H 4.45016000 0.52622000 0.23945000 O -4.07625000 0.02233000 -0.49464000 H -3.13634000 0.26630000 -0.25566000 H -4.31280000 0.43106000 -1.37615000 --Link1-- %nproc=4 %mem=2GB #p force fchk=all B3LYP/6-31G** nosym test single point calculation 0 1 N 1.38635000 -0.29197000 0.01352000 N -1.38633000 0.29227000 0.00681000 C 0.91882000 0.97077000 -0.01878000 C -0.44889000 1.25897000 -0.02208000 C -0.91881000 -0.97095000 0.00730000 C 0.44886000 -1.25914000 0.01058000 H 1.66107000 1.76596000 -0.02576000 H -0.80712000 2.28604000 -0.03176000 H 0.80714000 -2.28611000 0.02735000 H -1.66109000 -1.76602000 0.02139000 O -4.23656000 0.69673000 -0.66913000 H -3.25697000 0.80528000 -0.49977000 H -4.44576000 0.97637000 -1.60620000