%chk=000116016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116016

0 1
 S    1.340900      -1.174200       1.154600    
 O   -4.855000      0.8156000     -0.7484000    
 O   -2.107800      -3.176800     -0.6332000    
 O  -6.0600001E-02  -3.140800      0.1583000    
 N   -1.139900      -2.569000     -0.1202000    
 N    3.696500      0.6096000       2.087200    
 C  -0.2348000     -0.4382000      0.7253000    
 C   -1.271000      -1.178100      0.1556000    
 C   -2.651100      0.8039000      9.1799997E-02
 C   -2.479200     -0.5571000     -0.1612000    
 C  -0.4068000      0.9227000      0.9782000    
 C   -1.615000       1.543700      0.6616000    
 C    2.452500     -0.2131000      0.1412000    
 C    3.482500      0.5546000      0.6908000    
 C   -3.911100       1.451000     -0.2379000    
 C    2.273600     -0.2400000      -1.244100    
 C    4.327700       1.290700     -0.1395000    
 C    3.118900      0.4960000      -2.074500    
 C    4.146000       1.261300      -1.522200    
 C   -4.106300       2.938300      3.6499999E-02
 H   -3.298500      -1.117100     -0.6058000    
 H   0.3807000       1.521700       1.429100    
 H   -1.707300       2.603700      0.8767000    
 H    1.486800     -0.8338000      -1.703200    
 H    5.132200       1.891800      0.2766000    
 H    2.978700      0.4719000      -3.151200    
 H    4.804200       1.834000      -2.168900    
 H   -3.387100       3.526600     -0.5391000    
 H   -4.016900       3.140200       1.107000    
 H   -5.112600       3.231300     -0.2798000    
 H    3.092900      8.6000003E-02   2.707300    
 H    4.447400       1.171400       2.465400    


%chk=000116016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116016

0 1
S 1.412584 -1.585960 -0.035499
O -5.057132 0.826682 0.599304
O -2.631429 -3.325692 0.937159
O -0.383194 -3.468390 0.593940
N -1.489938 -2.795255 0.656543
N 2.887737 0.283245 1.960354
C -0.191980 -0.686859 0.081382
C -1.425539 -1.341370 0.391881
C -2.681187 0.755973 0.225518
C -2.642890 -0.634555 0.461584
C -0.250894 0.712302 -0.153392
C -1.461184 1.418821 -0.083975
C 2.572368 -0.194967 -0.431486
C 3.205165 0.527132 0.631420
C -4.005211 1.466827 0.310979
C 2.912011 0.054606 -1.779640
C 4.169272 1.521415 0.278669
C 3.866674 1.039598 -2.112465
C 4.487669 1.770198 -1.068609
C -4.048542 2.966840 0.043708
H -3.566361 -1.170905 0.700320
H 0.674068 1.241152 -0.400372
H -1.451151 2.496819 -0.274362
H 2.420539 -0.530023 -2.564778
H 4.666911 2.087324 1.075493
H 4.124735 1.228617 -3.158585
H 5.234004 2.536229 -1.308160
H -3.683710 3.201397 -0.973914
H -3.410818 3.517955 0.760240
H -5.086296 3.318120 0.143295
H 2.267578 -0.488516 2.200898
H 3.366642 0.779040 2.706550


