%mem=1gb %nproc=10 %chk=temp.chk #t b3lyp/6-31g* opt=(gdiis,loose) 1_amino_1_phenylmethyl_phosphonic_acid_675736 0 1 H -2.1719 -3.4490 -0.4591 H 0.2560 -3.4903 -0.4478 H -3.3476 -1.3244 -0.4826 H 1.5019 -1.4419 -0.4435 H -2.1182 0.7419 -0.5050 H 0.0090 1.9297 -0.9752 H 1.6473 0.8130 -2.1538 H 2.2576 2.0218 -1.2224 H 1.8023 0.8422 2.6908 H -0.3995 2.0971 2.6506 C -1.6456 -2.5723 -0.4668 C -0.2407 -2.5967 -0.4589 C -2.3253 -1.3419 -0.4830 C 0.4810 -1.3889 -0.4620 C -1.5959 -0.1376 -0.4960 C -0.1783 -0.1347 -0.4835 C 0.5790 1.1517 -0.4599 N 1.8564 1.0817 -1.1898 O 1.5486 2.9368 1.1125 O 1.6328 0.7162 1.8367 O -0.3974 1.8695 1.8002 P 0.8488 1.6762 1.0985 --link1-- %mem=1gb %nproc=10 %chk=temp.chk #t pbe1pbe/3-21g** guess=read geom=checkpoint nmr 1_amino_1_phenylmethyl_phosphonic_acid_675736 0 1