%chk=000229031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229031

0 1
S -1.833772 1.468534 -0.499815
O 2.818072 -0.091559 0.673682
N 0.484685 0.089198 -1.014655
N -1.339936 -1.038714 0.143041
C 1.322763 -1.151564 -0.950023
C 1.303599 1.289187 -0.661674
C 2.048033 -1.281936 0.397034
C 2.021951 1.110108 0.685943
C -0.774997 -0.002886 -0.388462
C -3.231462 0.589163 0.277992
C -2.757636 -0.859908 0.505437
H 2.055799 -1.083944 -1.785271
H 0.687283 -2.044726 -1.143508
H 0.688296 2.213166 -0.665977
H 2.052341 1.410469 -1.480371
H 1.343815 -1.459903 1.229747
H 2.826640 -2.064705 0.384335
H 2.781029 1.892365 0.865285
H 1.314871 1.067929 1.532799
H -4.108624 0.639243 -0.389642
H -3.499226 1.092244 1.222792
H -2.875413 -1.158854 1.572130
H -3.363611 -1.577005 -0.094919


%chk=000229031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229031

0 1
S -1.911537 1.557573 -0.333537
O 3.206197 0.019730 0.329077
N 0.448327 0.006311 -0.472282
N -1.586768 -1.149705 -0.015639
C 1.251078 -1.236274 -0.555194
C 1.236472 1.248237 -0.568503
C 2.378799 -1.192785 0.492437
C 2.373790 1.225475 0.476341
C -0.908502 -0.058958 -0.254922
C -3.360650 0.559216 0.370287
C -3.045905 -0.929906 0.018184
H 1.691440 -1.314392 -1.569950
H 0.577263 -2.091064 -0.383378
H 0.586078 2.122922 -0.396648
H 1.674556 1.328404 -1.584288
H 1.945788 -1.216068 1.515336
H 3.073931 -2.038768 0.364703
H 3.059943 2.076251 0.331109
H 1.941885 1.263697 1.499925
H -4.290141 0.915452 -0.099393
H -3.390874 0.731170 1.457973
H -3.508240 -1.598725 0.766528
H -3.478433 -1.181893 -0.972265


