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

L_leucine_3423

0 1
N 1.6427 -2.2462 0.0840
C 1.2198 -0.8375 0.0950
C 1.8131 -0.1926 1.2563
O 3.0211 -0.0265 1.3198
C -0.3306 -0.7460 -0.0456
C -0.9552 0.6837 -0.1461
C -2.5058 0.6442 -0.0858
C -0.4634 1.4931 -1.3772
O 1.1520 0.2116 2.2081
H 2.6644 -2.2555 0.0332
H 1.3081 -2.6575 -0.7905
H 1.6623 -0.3998 -0.8027
H -0.7701 -1.2689 0.8099
H -0.6319 -1.3113 -0.9331
H -0.6527 1.2551 0.7349
H -2.8477 0.1432 0.8227
H -2.9207 1.6547 -0.0700
H -2.9219 0.1161 -0.9459
H -0.9134 2.4874 -1.3968
H -0.7155 0.9818 -2.3081
H 0.6164 1.6437 -1.3483
H 1.5291 0.6271 2.8864

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

L_leucine_3423

0 1