%chk=000268930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268930

0 1
S -3.129576 2.401806 0.856048
O -0.669521 -0.770150 -2.415931
O -0.958865 -3.672849 1.170539
N -0.510979 -1.364393 1.102696
N -0.931180 -2.467667 -0.855903
C -0.296181 -0.337242 0.030258
C 1.141184 0.152583 0.066281
C -1.281364 0.797036 0.152567
C -0.644027 -1.142383 -1.274611
C -0.803728 -2.640639 0.568092
C -1.275090 1.879961 -0.815383
C 1.518881 1.049099 1.079308
C 2.093264 -0.288676 -0.861222
C -2.235954 0.938434 1.117013
C -2.217671 2.825377 -0.564943
C 2.839744 1.493507 1.164301
C 3.414662 0.161693 -0.772840
C 3.790691 1.049253 0.238982
H -0.044536 -1.258093 1.997755
H -1.242461 -3.212726 -1.474108
H -0.579934 1.886306 -1.648499
H 0.777534 1.410391 1.793400
H 1.819906 -0.973462 -1.665184
H -2.462697 0.275357 1.936717
H -2.430418 3.722981 -1.120093
H 3.128516 2.190201 1.950611
H 4.151241 -0.182107 -1.498856
H 4.820857 1.397101 0.305705


%chk=000268930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268930

0 1
S -3.322124 2.256018 1.041564
O -0.584123 -0.603547 -2.481201
O -1.069248 -3.720860 1.021491
N -0.452435 -1.419309 1.002201
N -0.974382 -2.374161 -0.955325
C -0.264036 -0.328452 0.014936
C 1.192836 0.182445 0.034056
C -1.292432 0.791897 0.191371
C -0.612045 -1.079297 -1.324932
C -0.854565 -2.627042 0.450742
C -1.346012 1.946093 -0.684255
C 1.543024 1.301145 0.829658
C 2.211127 -0.512775 -0.665296
C -2.281620 0.802828 1.162100
C -2.364101 2.824887 -0.369836
C 2.889850 1.715718 0.927501
C 3.555622 -0.095050 -0.572113
C 3.900642 1.019425 0.227180
H -0.155564 -1.347744 1.973999
H -1.295781 -3.091456 -1.606035
H -0.657608 2.090638 -1.519937
H 0.762529 1.854517 1.363510
H 1.958880 -1.374588 -1.293633
H -2.491944 0.059280 1.928318
H -2.639620 3.759517 -0.854406
H 3.148074 2.582533 1.545667
H 4.332709 -0.635635 -1.123362
H 4.944645 1.343673 0.298737


