%chk=000191307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191307

0 1
S 3.115033 0.691355 2.196945
S -0.514742 2.530824 0.631989
O -4.616562 -2.592342 -0.576208
O -5.816596 -0.945134 -1.300031
N 1.827821 0.663818 -0.116653
N 0.683940 1.854491 1.647969
N -4.803574 -1.406660 -0.798598
C 3.880532 -0.125324 0.852685
C 3.054609 -0.028622 -0.303412
C 1.715809 1.108465 1.116541
C 5.100412 -0.788110 0.821177
C 3.469654 -0.607188 -1.511398
C -1.717973 1.309042 0.262419
C 5.502611 -1.361834 -0.388463
C 4.696454 -1.269987 -1.536680
C -3.729123 -0.462541 -0.432228
C -1.530315 -0.057261 0.483065
C -2.901195 1.802931 -0.308941
C -2.542392 -0.953215 0.134536
C -3.912513 0.912611 -0.661369
H 5.728069 -0.860319 1.707986
H 2.839739 -0.530942 -2.397232
H 6.455022 -1.887590 -0.444481
H 5.039446 -1.727247 -2.465886
H -0.597457 -0.440506 0.900732
H -3.041091 2.871782 -0.482297
H 0.573761 1.913665 2.660635
H -2.419298 -2.030643 0.293772
H -4.846781 1.268180 -1.110675


%chk=000191307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191307

0 1
S 3.061726 0.541317 2.294758
S -0.485133 2.621696 0.513008
O -4.715759 -2.661169 -0.413989
O -6.012936 -0.950559 -1.190377
N 1.949805 0.700045 -0.179340
N 0.644870 1.742749 1.557664
N -4.918398 -1.412405 -0.679740
C 3.918289 -0.208946 0.870332
C 3.165588 0.001718 -0.332992
C 1.737645 1.045063 1.067173
C 5.139325 -0.905488 0.869754
C 3.664040 -0.498525 -1.557612
C -1.787848 1.356930 0.194091
C 5.622228 -1.397331 -0.366511
C 4.890717 -1.194496 -1.565490
C -3.833359 -0.453296 -0.380802
C -1.594080 -0.018034 0.458785
C -3.003222 1.827774 -0.365466
C -2.625726 -0.931828 0.174901
C -4.034231 0.917744 -0.659141
H 5.707903 -1.065089 1.790807
H 3.088023 -0.336139 -2.473159
H 6.572929 -1.940071 -0.392432
H 5.283711 -1.584507 -2.510297
H -0.646879 -0.370353 0.874343
H -3.150786 2.895044 -0.564208
H 0.547424 1.883935 2.563494
H -2.508423 -2.001686 0.365660
H -4.984144 1.247605 -1.087314


