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

alpha_ketoglutaric_acid_3328

0 1
C 2.1793 -1.3772 -0.0418
C 1.5046 -0.1964 -0.0910
C -2.0798 1.3015 0.0108
O 3.3492 -1.4765 -0.3868
O -2.6739 2.3695 -0.0252
O 2.1543 0.8368 -0.1976
C 0.0480 -0.1202 -0.0325
C -0.6297 1.2818 -0.0493
O 1.6504 -2.4122 0.3550
O -2.7618 0.2855 0.0990
H -0.3347 -0.6796 -0.8921
H -0.2852 -0.6328 0.8746
H -0.2544 1.8581 0.8012
H -0.3268 1.8020 -0.9618
H 2.1014 -3.1674 0.4027
H -3.6408 0.3272 0.1349

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

alpha_ketoglutaric_acid_3328

0 1