%mem=1gb
%nproc=10
%chk=temp.chk
#t b3lyp/6-31g* opt=(gdiis,loose)

Acetyl_phosphate_3527

0 1
P 0.7960 -1.0088 -0.0387
O -0.6326 -0.7258 -0.0619
O 1.0082 -2.4342 -0.0434
O 1.3918 -0.4539 1.1514
O 1.4529 -0.4570 -1.1965
O -2.5218 0.1058 -0.0612
C -0.8894 1.7001 -0.0403
C -1.3175 0.3121 -0.0563
H 0.7985 -2.9128 -0.7523
H 2.2642 -0.3567 1.2078
H -1.2724 2.1976 0.8524
H -1.2721 2.2174 -0.9218
H 0.1943 1.8160 -0.0392

--link1--
%mem=1gb
%nproc=10
%chk=temp.chk
#t pbe1pbe/3-21g** guess=read geom=checkpoint nmr

Acetyl_phosphate_3527

0 1