%chk=000148941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148941

0 1
 S   -5.695100      0.1876000      0.8780000    
 O   -6.936900     -0.3122000       1.438100    
 O   -4.826700       1.045400       1.659700    
 N   0.5286000     -0.3050000      -1.317400    
 N    4.039700      0.2847000      0.8926000    
 N   -4.819100      -1.142700      0.2230000    
 C    2.124300       1.214600     -0.2278000    
 C    1.714900     -7.8400001E-02 -0.5693000    
 C    2.469000      -1.189600     -0.1790000    
 C    3.309600       1.351500      0.5142000    
 C    1.386000       2.349200     -0.6069000    
 C    3.640900     -0.9585000      0.5611000    
 C  -0.8031000     -0.5145000     -0.9343000    
 C    3.722500       2.636300      0.8571000    
 C    2.081300      -2.500200     -0.5083000    
 C    1.820400       3.622700     -0.2514000    
 C    4.396000      -2.060900      0.9524000    
 C   0.1148000       2.320900      -1.398700    
 C    2.991200       3.766100      0.4820000    
 C   -1.793400     -0.7151000      -1.902100    
 C   -1.155000     -0.5235000      0.4200000    
 C    2.854000      -3.585100     -0.1050000    
 C   -3.462600     -0.9301000     -0.1687000    
 C    4.013700      -3.364500      0.6269000    
 C   -3.119000     -0.9222000      -1.520500    
 C   -2.480500     -0.7307000      0.8018000    
 C   -6.115500       1.053900     -0.6177000    
 H   0.7114000     -0.4389000      -2.308000    
 H    4.636500       2.775000       1.431800    
 H    1.184600      -2.713000      -1.084200    
 H    1.267100       4.515600     -0.5294000    
 H    5.309100      -1.914200       1.526700    
 H  -0.7305000       2.003700     -0.7875000    
 H  -0.1564000       3.335900      -1.722300    
 H   0.2135000       1.783400      -2.344700    
 H    3.339200       4.755200      0.7654000    
 H   -1.540800     -0.7102000      -2.959600    
 H  -0.4107000     -0.3729000       1.197700    
 H    2.553300      -4.596200     -0.3617000    
 H    4.624100      -4.204100      0.9464000    
 H   -3.876200      -1.074800      -2.285200    
 H   -2.730100     -0.7467000       1.859500    
 H   -5.351300      -1.739100     -0.4249000    
 H   -6.668900      0.3812000      -1.275400    
 H   -6.745000       1.904600     -0.3467000    
 H   -5.202900       1.411900      -1.096900    


%chk=000148941-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148941

0 1
S -5.822604 0.611192 0.837697
O -7.407321 0.255233 0.956947
O -5.020735 1.364204 2.034837
N 0.475463 -0.657060 -1.402151
N 3.930580 0.324436 0.969342
N -4.839945 -1.164315 0.517813
C 1.846032 1.084628 -0.208587
C 1.619387 -0.265765 -0.633969
C 2.563500 -1.293403 -0.309931
C 3.015482 1.297007 0.662711
C 1.060588 2.251880 -0.597551
C 3.740360 -0.932513 0.467894
C -0.840548 -0.750272 -0.922800
C 3.266035 2.594643 1.228776
C 2.392936 -2.670785 -0.693143
C 1.374514 3.489341 -0.023713
C 4.726516 -1.937928 0.763237
C -0.041963 2.226483 -1.644451
C 2.445981 3.666644 0.910349
C -1.867284 -1.199319 -1.807871
C -1.184980 -0.421925 0.423356
C 3.363533 -3.621327 -0.384557
C -3.538273 -1.006891 -0.009374
C 4.549649 -3.250219 0.337343
C -3.194098 -1.302399 -1.365019
C -2.506032 -0.556941 0.870500
C -5.583243 1.717766 -0.732357
H 0.670497 -1.160561 -2.270740
H 4.128743 2.686021 1.894401
H 1.478751 -2.982077 -1.209457
H 0.785177 4.365374 -0.318940
H 5.602417 -1.623850 1.338819
H -0.960779 1.736651 -1.276780
H -0.304079 3.259821 -1.929615
H 0.267159 1.685739 -2.555353
H 2.630393 4.657770 1.338128
H -1.616783 -1.452263 -2.845690
H -0.407580 -0.087572 1.116491
H 3.218316 -4.666017 -0.680439
H 5.302636 -4.011978 0.566323
H -3.973438 -1.637825 -2.061764
H -2.770544 -0.333304 1.908313
H -5.499084 -1.632260 -0.137496
H -6.150454 1.242295 -1.544045
H -5.996017 2.696264 -0.450060
H -4.502857 1.761478 -0.926622


