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

muco_inositol_8908

0 1
C -0.0973 -1.4543 -0.1461
C 1.2989 -0.8153 -0.3989
C -1.2835 -0.4707 -0.3730
C -1.0745 0.9187 0.2921
C 1.4741 0.5779 0.2650
C 0.3019 1.5370 -0.0847
O 2.3416 -1.6819 0.0484
O 1.6078 0.4346 1.6796
O -0.2357 -2.5794 -1.0135
O 0.3495 1.8584 -1.4761
O -2.4881 -1.0757 0.0966
O -1.2126 0.8108 1.7092
H -0.1366 -1.8238 0.8828
H 1.4321 -0.6937 -1.4779
H -1.4045 -0.3144 -1.4486
H -1.8677 1.5952 -0.0403
H 2.4104 1.0214 -0.0866
H 0.4366 2.4832 0.4462
H 2.2077 -2.5328 -0.4181
H 1.7318 1.3419 2.0294
H -1.1352 -2.9357 -0.8607
H -0.3749 2.5000 -1.6319
H -3.1993 -0.4183 -0.0540
H -1.0828 1.7168 2.0609

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

muco_inositol_8908

0 1