%chk=000098140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098140

0 1
 S    2.005500     -0.4230000      -1.414100    
 O    1.353000       1.911100       1.672300    
 O    3.378500       2.221200     -0.1808000    
 O    4.220800      -2.450100     -0.7745000    
 N  -0.3264000     -0.1715000      3.7500001E-02
 N   -1.736000      -1.738500      0.7617000    
 N   -1.914100       1.457300     -0.8144000    
 N   -4.212800      0.6948000     -0.5134000    
 N   -4.747200      -1.404500      0.5037000    
 C    1.814200      0.7556000      0.9829000    
 C   0.9430000      0.5013000     -0.2519000    
 C    3.248400      0.9642000      0.4876000    
 C    3.565600     -0.1707000     -0.4880000    
 C    3.959900      -1.466000      0.2104000    
 C   -1.580700      0.2955000     -0.2324000    
 C  -0.4712000      -1.395800      0.6336000    
 C   -2.440600     -0.6904000      0.2247000    
 C   -3.803300     -0.4588000      6.7400001E-02
 C   -3.256700       1.568300     -0.9122000    
 H    1.779100     -8.1600003E-02   1.688600    
 H   0.6869000       1.450200     -0.7373000    
 H    3.955600      0.9848000       1.324300    
 H    4.332600      0.1193000      -1.214300    
 H    3.190400      -1.843900      0.8918000    
 H    4.877000      -1.321400      0.7905000    
 H    1.300600       2.645700       1.038100    
 H    3.263600       2.918500      0.4868000    
 H   0.3714000      -1.994400      0.9527000    
 H    3.401300      -2.581500      -1.281300    
 H   -3.620300       2.480700      -1.372600    
 H   -4.444200      -2.265700      0.9382000    
 H   -5.731900      -1.212800      0.3791000    


%chk=000098140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098140

0 1
S 2.382605 -1.151923 -1.333501
O 1.042187 2.326984 0.266445
O 3.375576 2.020350 -1.026277
O 4.400827 -2.478103 0.674398
N -0.250626 -0.518210 -0.570302
N -1.968794 -2.047215 -0.482289
N -1.454806 1.459751 0.364918
N -3.782132 0.954244 0.930269
N -4.739842 -1.180538 0.618495
C 1.588330 0.984603 0.280544
C 1.043189 0.123367 -0.900814
C 3.115866 1.114658 0.087525
C 3.701143 -0.263900 -0.237683
C 4.011481 -1.111071 1.012080
C -1.357616 0.155362 -0.042545
C -0.683708 -1.835685 -0.819990
C -2.403347 -0.802400 0.005651
C -3.657382 -0.356252 0.519176
C -2.700645 1.775221 0.835860
H 1.367389 0.452604 1.231304
H 0.912460 0.766851 -1.787647
H 3.568667 1.512695 1.021864
H 4.591959 -0.164766 -0.877703
H 3.147372 -1.103575 1.710784
H 4.890658 -0.689934 1.531075
H 0.012341 2.240590 0.345979
H 2.712373 2.759277 -0.926174
H -0.013711 -2.583000 -1.236787
H 3.635249 -2.905625 0.204963
H -2.844540 2.804527 1.174981
H -4.668139 -2.151527 0.319930
H -5.612385 -0.809458 0.990172


