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

Selenomethionine_7713

0 1
Se -2.7930 0.5510 -0.2028
O 3.1013 -2.3843 -0.1958
O 1.1983 -3.1847 -0.1637
N 1.8740 -0.1176 1.0325
C 1.3458 -0.8268 -0.1432
C -0.8201 0.7044 -0.1887
C -0.2071 -0.7188 -0.1667
C -3.2434 2.4721 -0.1819
C 1.8923 -2.1779 -0.1661
H 3.6782 -1.7193 -0.1968
H 2.8944 -0.1799 1.0023
H 1.5659 -0.6239 1.8657
H 1.7275 -0.3139 -1.0297
H -0.4963 1.2505 -1.0777
H -0.5201 1.2705 0.6959
H -0.5726 -1.2416 -1.0553
H -0.6072 -1.2418 0.7065
H -2.8419 2.9475 0.7142
H -2.8456 2.9639 -1.0703
H -4.3305 2.5705 -0.1784

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

Selenomethionine_7713

0 1