%mem=1gb %nproc=10 %chk=temp.chk #t b3lyp/6-31g* opt=(gdiis,loose) Oxalosuccinate_7753 0 1 O -1.2113 2.1059 -1.8091 O 2.7556 -1.3344 -0.6356 O -0.7477 -0.9798 2.8975 O -1.4226 2.3671 0.2163 O 0.8852 -2.2125 -0.7099 O -0.2999 0.9456 2.3358 O -1.8793 -1.3680 0.5657 C -0.6113 0.2490 -0.4911 C 0.9447 0.1459 -0.6306 C -1.0990 1.6140 -0.6898 C 1.5404 -1.1820 -0.6584 C -0.7256 -0.1486 1.9951 C -1.1048 -0.4304 0.7191 H -1.0172 1.6438 -2.5326 H 3.2994 -0.6445 -0.5894 H -0.9738 -1.8145 2.7393 H -1.0034 -0.2981 -1.3584 H 1.2621 0.6395 -1.5534 H 1.4083 0.7018 0.1895 --link1-- %mem=1gb %nproc=10 %chk=temp.chk #t pbe1pbe/3-21g** guess=read geom=checkpoint nmr Oxalosuccinate_7753 0 1