%chk=000117741.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117741

0 1
 S    4.679600     -3.7500001E-02  0.4268000    
 O    5.492800      7.4299999E-02 -0.9872000    
 O   -4.211700       1.182600       1.486100    
 O   -3.130200      -2.178300      0.6647000    
 O    4.971100       1.172900       1.181000    
 O    4.944800      -1.349000      0.9976000    
 N   -1.767500     -1.2200000E-02 -3.4699999E-02
 N   -1.063500      7.1000002E-02  -1.063100    
 C   -3.194800      1.1700000E-02 -0.3545000    
 C    2.990000     -5.7999999E-03 -1.2300000E-02
 C   0.2960000      4.5499999E-02 -0.7093000    
 C    2.316500      -1.197200     -0.2820000    
 C    2.313300       1.211200     -9.1899998E-02
 C   0.9662000      -1.171500     -0.6314000    
 C   0.9630000       1.237000     -0.4412000    
 C   -3.765500       1.229100      0.3397000    
 C   -3.791200      -1.306300      0.1012000    
 C   -3.745100       2.524100     -0.4320000    
 C   -5.264000      -1.501800     -0.1576000    
 H   -3.384200      9.2399999E-02  -1.433200    
 H    2.824200      -2.156400     -0.2341000    
 H    2.819100       2.151900      0.1068000    
 H   0.4496000      -2.104000     -0.8424000    
 H   0.4437000       2.189600     -0.5033000    
 H   -4.332000       2.414100      -1.347200    
 H   -4.184500       3.321100      0.1742000    
 H   -2.713900       2.792200     -0.6740000    
 H   -5.541000      -2.535300      6.8899997E-02
 H   -5.848600     -0.8319000      0.4766000    
 H   -5.481200      -1.309400      -1.211300    
 H    5.337200      0.9021000      -1.500100    


%chk=000117741-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117741

0 1
S 4.818293 0.406131 -0.040805
O 5.079877 -1.317704 -0.679540
O -5.160363 1.902675 -0.109586
O -3.863559 -1.760557 0.750785
O 5.547100 1.449392 -1.039295
O 5.134106 0.421697 1.545639
N -1.963654 0.243198 -0.104051
N -1.167189 0.547537 -1.085872
C -3.383316 0.302718 -0.511590
C 2.967385 0.421379 -0.334717
C 0.236051 0.480399 -0.751161
C 2.134378 -0.059168 0.692859
C 2.505841 0.925982 -1.560166
C 0.744888 -0.025889 0.477843
C 1.110620 0.950665 -1.763274
C -4.193725 1.283159 0.396956
C -4.044432 -1.107369 -0.301363
C -3.782456 1.364632 1.846403
C -4.934473 -1.552595 -1.442393
H -3.507908 0.617885 -1.565045
H 2.564040 -0.432798 1.627471
H 3.207556 1.294002 -2.314478
H 0.043637 -0.390347 1.234137
H 0.679025 1.327901 -2.695110
H -2.761262 1.782802 1.921483
H -4.491148 1.989353 2.410321
H -3.725106 0.346198 2.274324
H -5.433080 -2.501688 -1.194191
H -5.689906 -0.772067 -1.655554
H -4.336196 -1.677057 -2.365022
H 6.053175 -1.534265 -0.584209


