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

meso_erythritol_3786

0 1
O 2.7568 -1.4640 0.0035
C 1.3340 -1.4687 0.0099
C 0.7762 -0.0266 0.0184
C -0.7762 0.0266 -0.0184
C -1.3340 1.4687 -0.0099
O -2.7568 1.4640 -0.0035
O 1.2577 0.6491 1.1807
O -1.2577 -0.6491 -1.1807
H 3.0099 -2.4104 -0.0008
H 0.9897 -2.0139 0.8920
H 1.0013 -2.0068 -0.8798
H 1.1680 0.5011 -0.8566
H -1.1680 -0.5011 0.8566
H -0.9897 2.0139 -0.8920
H -1.0013 2.0068 0.8798
H -3.0099 2.4104 0.0008
H 2.2356 0.6476 1.1085
H -2.2356 -0.6476 -1.1085

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

meso_erythritol_3786

0 1