%chk=000193841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193841

0 1
S -0.075025 0.455497 -1.184654
O 2.575339 -0.661088 1.535249
O 0.104881 -0.521092 -2.233754
O -0.050496 1.873408 -1.512185
O 0.792250 -1.904724 0.961121
N 1.376785 -0.876783 0.760426
N 3.092420 0.561387 1.171390
C 1.197850 0.202602 -0.017272
C -1.509676 0.107676 -0.294186
C 2.305762 1.117378 0.240774
C -2.260034 1.157892 0.247236
C -1.944146 -1.213679 -0.142677
C 2.562633 2.414471 -0.400128
C -3.433610 0.887077 0.955175
C -3.118402 -1.486870 0.564999
C -3.861130 -0.436383 1.114420
H -1.933040 2.195129 0.108410
H -1.366880 -2.038866 -0.576198
H 3.084529 3.121061 0.264670
H 3.186325 2.298915 -1.305148
H 1.621986 2.903285 -0.745211
H -4.016742 1.704198 1.377709
H -3.453669 -2.516514 0.685581
H -4.778013 -0.648876 1.666650


%chk=000193841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193841

0 1
S -0.052622 0.328319 -1.317083
O 2.863264 -0.611204 1.588353
O 0.134332 -0.898378 -2.366071
O -0.026543 1.888867 -1.788291
O 0.960802 -2.084927 0.758151
N 1.521033 -0.961887 0.660537
N 3.215998 0.682906 1.228037
C 1.357486 0.180346 -0.026213
C -1.613657 0.034537 -0.285931
C 2.362117 1.162092 0.296052
C -2.287832 1.166550 0.198907
C -2.047310 -1.290322 -0.117379
C 2.540476 2.538339 -0.270369
C -3.477731 0.943722 0.929297
C -3.240143 -1.485294 0.617741
C -3.945598 -0.375638 1.139923
H -1.911813 2.174269 -0.005326
H -1.490045 -2.127137 -0.548204
H 3.385740 3.029214 0.237469
H 2.742598 2.498889 -1.354235
H 1.628472 3.144443 -0.142782
H -4.037491 1.797225 1.324824
H -3.612659 -2.501674 0.779066
H -4.868979 -0.538155 1.705924


