%mem=1gb
%nproc=4
%chk=temp.chk
#t b3lyp/6-31g* opt=(gdiis,loose)

dihydroxyacetone_3484

0 1
C 1.1630 0.5418 -0.2289
O 1.6167 1.2113 0.9417
C -0.2833 0.4906 -0.2437
O -0.8953 1.5507 -0.2649
C -1.0507 -0.7363 -0.2289
O -1.8573 -0.7945 0.9417
H 1.5226 1.0737 -1.1129
H 1.6180 -0.4505 -0.2358
H 2.5950 1.1791 0.8902
H -1.6912 -0.7818 -1.1129
H -0.4189 -1.6265 -0.2358
H -2.3186 -1.6578 0.8902

--link1--
%mem=1gb
%nproc=4
%chk=temp.chk
#t pbe1pbe/3-21g** guess=read geom=checkpoint nmr

dihydroxyacetone_3484

0 1