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

L_alanine_3343

0 1
N 0.7556 -0.3209 1.3214
C 0.2616 0.3607 0.1157
C -1.1887 0.3881 0.1351
O -1.8087 1.4421 0.1312
C 0.8064 -0.3393 -1.1508
O -1.8307 -0.6568 0.1411
H 0.4369 0.2104 2.1350
H 1.7767 -0.2689 1.3112
H 0.6639 1.3791 0.1374
H 1.8984 -0.3281 -1.1571
H 0.4598 0.1692 -2.0539
H 0.4795 -1.3805 -1.1951
H -2.7107 -0.6550 0.1287

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

L_alanine_3343

0 1