%chk=000191351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191351

0 1
S -2.612627 -0.134331 0.008828
O -3.052493 1.691353 0.092752
O -3.572982 -0.943972 1.013322
O -2.474638 -0.535657 -1.543607
N -0.990331 -0.041490 0.723790
C 1.434340 0.351191 0.593443
C 1.863603 -1.144528 0.393406
C 2.563625 1.210262 -0.065993
C 3.183668 -1.102525 -0.430713
C 3.798164 0.276073 -0.083659
C 0.059666 0.695662 -0.022054
H 1.399104 0.583790 1.677699
H 1.069206 -1.726240 -0.106357
H 2.039974 -1.624168 1.373229
H 2.738938 2.160085 0.469685
H 2.281839 1.463994 -1.107894
H 2.962258 -1.146912 -1.514736
H 3.855373 -1.947358 -0.197153
H 4.266124 0.242259 0.919785
H 4.569773 0.603743 -0.802936
H 0.023294 0.354976 -1.072249
H -0.116415 1.790280 -0.001177
H -1.075828 0.163740 1.729886
H -3.934633 1.829274 -0.392393


%chk=000191351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191351

0 1
S -2.595672 -0.149588 -0.024211
O -3.030456 1.678741 0.020044
O -3.578008 -0.941481 0.973041
O -2.427391 -0.573610 -1.567955
N -0.988498 -0.051019 0.724900
C 1.438250 0.359056 0.652855
C 1.881185 -1.133285 0.470770
C 2.570660 1.225101 -0.000903
C 3.110100 -1.091094 -0.478744
C 3.778549 0.264627 -0.143798
C 0.075612 0.683520 -0.003046
H 1.370323 0.601490 1.732871
H 1.055201 -1.755395 0.084162
H 2.176724 -1.561447 1.446518
H 2.801083 2.129777 0.589109
H 2.250086 1.562461 -1.006944
H 2.781522 -1.094261 -1.536550
H 3.784047 -1.954783 -0.339749
H 4.324400 0.188231 0.816994
H 4.497844 0.599782 -0.912213
H 0.069759 0.328836 -1.049178
H -0.108114 1.776951 -0.001277
H -1.096830 0.162766 1.728547
H -3.861375 1.814127 -0.520340


