%chk=000161851.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161851

0 1
 S    2.263900      -1.448600     -0.2689000    
 O    3.113800      -1.978100      0.7850000    
 O    1.956500      -2.268600      -1.428700    
 N    2.903200      4.2300001E-02 -0.7992000    
 N   -3.852300      0.7279000      0.1788000    
 N    4.581100       3.060700      0.6068000    
 C  -0.3490000     -0.4966000     -0.3167000    
 C   0.7352000     -0.9593000      0.4467000    
 C   -1.546700     -0.1220000      0.3379000    
 C   -2.631000      0.3407000     -0.4256000    
 C   0.6400000      -1.051400       1.835500    
 C  -0.2710000     -0.3975000      -1.715300    
 C   -1.624500     -0.2209000       1.736700    
 C   -2.535600      0.4329000      -1.814500    
 C  -0.5375000     -0.6828000       2.479300    
 C    3.162200       1.118200      0.1682000    
 C   -1.357800      6.4599998E-02  -2.458000    
 C    4.303200       1.987700     -0.3396000    
 C   -4.903800     -0.2439000      0.3825000    
 C   -4.050100       2.094600      0.6090000    
 H    1.463100      -1.401400       2.451000    
 H   0.6162000     -0.6265000      -2.290900    
 H   -2.522600      5.7500001E-02   2.282300    
 H    2.711900      0.3405000      -1.763700    
 H   -3.373700      0.7929000      -2.406100    
 H  -0.6105000     -0.7530000       3.560800    
 H    3.421000      0.6948000       1.144900    
 H    2.249900       1.714800      0.2805000    
 H   -1.282300      0.1451000      -3.538700    
 H    4.051800       2.421600      -1.313900    
 H    5.208700       1.387100     -0.4813000    
 H   -4.630100     -0.9506000       1.172600    
 H   -5.094300     -0.8106000     -0.5356000    
 H   -5.847000      0.2323000      0.6704000    
 H   -4.247700       2.738300     -0.2545000    
 H   -3.165800       2.479100       1.129000    
 H   -4.896200       2.184900       1.298300    
 H    4.811400       2.663800       1.517200    
 H    3.739400       3.617900      0.7498000    


%chk=000161851-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161851

0 1
S 2.415029 -1.409860 -0.121106
O 3.384329 -1.725597 1.146043
O 2.293674 -2.429902 -1.380353
N 3.068043 0.178693 -0.833977
N -3.967000 0.589720 0.288085
N 4.786503 3.340305 0.396650
C -0.427040 -0.715888 -0.230178
C 0.686130 -1.028225 0.618652
C -1.649801 -0.305338 0.447487
C -2.797912 0.102987 -0.350956
C 0.638031 -1.053851 2.006704
C -0.403264 -0.826748 -1.659629
C -1.712166 -0.389008 1.876813
C -2.735983 -0.050131 -1.751215
C -0.605002 -0.762094 2.643180
C 3.377874 1.242136 0.143173
C -1.556351 -0.525616 -2.388087
C 4.381319 2.255554 -0.501672
C -5.247546 0.506059 -0.431246
C -3.882630 1.771374 1.177317
H 1.534125 -1.320276 2.577018
H 0.484053 -1.226886 -2.159938
H -2.670680 -0.200849 2.368551
H 2.441136 0.448946 -1.611762
H -3.594806 0.228012 -2.368893
H -0.685457 -0.842392 3.731716
H 3.869871 0.760173 1.007878
H 2.480119 1.789540 0.510449
H -1.551545 -0.638081 -3.477972
H 3.930409 2.697268 -1.410502
H 5.272431 1.692506 -0.827938
H -5.350760 -0.480776 -0.911889
H -5.369323 1.295806 -1.208748
H -6.071543 0.622682 0.295496
H -4.167783 2.697554 0.630279
H -2.857700 1.906716 1.551856
H -4.563624 1.660883 2.042511
H 5.371141 3.063123 1.188218
H 4.056700 4.009879 0.649987


