%chk=000206585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206585

0 1
S -4.950348 -0.219460 -0.340723
O 0.038095 -0.127540 -0.266372
O 5.351444 1.309147 0.116202
O 2.698000 -3.042112 0.525278
N 0.796020 -2.655024 -0.631731
C -2.286924 0.032417 -0.309776
C -1.017530 0.884227 -0.251531
C -3.524112 0.912498 -0.219247
C 1.350375 0.284113 -0.169732
C 2.287632 -0.762617 -0.053791
C 1.751237 1.633229 -0.190079
C -6.363731 0.929456 -0.189226
C 3.647800 -0.436214 0.049764
C 4.037000 0.906030 0.025374
C 3.101338 1.950248 -0.095123
C 1.955425 -2.221981 0.001703
C -7.609715 0.074537 -0.279816
H -2.288776 -0.566648 -1.246348
H -2.265341 -0.714660 0.515460
H -0.894229 1.532838 -1.134814
H -0.933329 1.466315 0.681710
H -3.559864 1.654556 -1.037412
H -3.561133 1.467899 0.735671
H 1.021733 2.433494 -0.282502
H -6.311631 1.469396 0.773652
H -6.328720 1.682412 -0.997303
H 4.378742 -1.242553 0.161900
H 3.449019 2.983279 -0.109928
H -7.676147 -0.465732 -1.235149
H -7.658644 -0.677007 0.521402
H -8.516021 0.690436 -0.196552
H 0.087234 -2.018740 -0.968213
H 0.529366 -3.624953 -0.551685
H 5.963234 0.539115 0.224539


%chk=000206585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206585

0 1
S -5.150777 -0.325218 -0.325730
O 0.055203 -0.328228 -0.178063
O 5.371317 1.571866 0.039232
O 3.339493 -3.048354 -0.254397
N 1.031922 -2.818792 -0.290417
C -2.354245 -0.176345 -0.229218
C -1.057336 0.637892 -0.150931
C -3.591165 0.740686 -0.209065
C 1.382913 0.160103 -0.121762
C 2.445270 -0.792879 -0.150604
C 1.673853 1.544800 -0.040174
C -6.450031 1.058065 -0.287279
C 3.777361 -0.316241 -0.096417
C 4.062128 1.060445 -0.016015
C 3.005810 1.997008 0.012644
C 2.307682 -2.301357 -0.235603
C -7.852143 0.440439 -0.391319
H -2.349685 -0.778019 -1.157255
H -2.395100 -0.878930 0.623941
H -0.966936 1.327928 -1.014844
H -1.011046 1.227077 0.787907
H -3.584601 1.437831 -1.067051
H -3.640042 1.324279 0.728536
H 0.869661 2.284711 -0.017022
H -6.326539 1.614744 0.658522
H -6.247868 1.737021 -1.134604
H 4.564511 -1.081512 -0.121349
H 3.237639 3.064056 0.075617
H -7.970467 -0.124187 -1.333091
H -8.049106 -0.247542 0.449921
H -8.620271 1.235313 -0.369932
H 0.222136 -2.192708 -0.273767
H 0.934124 -3.831385 -0.346915
H 6.033833 0.837838 0.012106


