%chk=000047755.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047755

0 1
 S    3.441700      0.6937000      4.1700002E-02
 O   -1.324900     -0.6503000      0.9406000    
 O   0.5973000      0.9605000     -0.4391000    
 O   0.2615000       2.656400       1.099300    
 O    2.523300      -1.214100      -1.864300    
 O    1.939600      -2.859200     -0.3878000    
 N    2.405200       1.803300      0.8365000    
 N    2.820500     -0.8628000      0.4038000    
 C   -2.551500      -1.390200       1.206900    
 C   -3.734200     -0.6511000      0.5380000    
 C   -2.993400      0.2496000     -0.3737000    
 C   -1.642400      0.2149000     -7.2800003E-02
 C   -2.729200      -1.457900       2.724500    
 C   -2.374900      -2.803900      0.6383000    
 C   -3.477400       1.079900      -1.368500    
 C  -0.7238000      0.9990000     -0.7438000    
 C   -2.565800       1.875900      -2.066800    
 C   -1.197000       1.836200      -1.755600    
 C    1.037800       1.874400      0.5509000    
 C    3.031700       2.667300       1.825900    
 C    2.762200      -1.230100       1.810800    
 C    2.391400      -1.735100     -0.6019000    
 C    2.102200      -2.056600      -2.943000    
 H   -4.408800      -1.328300      5.7000001E-03
 H   -4.309900     -5.6899998E-02   1.256000    
 H   -2.782500     -0.4515000       3.155300    
 H   -3.637600      -2.003500       2.999200    
 H   -1.870500      -1.949100       3.196200    
 H   -3.252500      -3.428100      0.8348000    
 H   -2.205300      -2.775500     -0.4441000    
 H   -1.495400      -3.290800       1.075100    
 H   -4.535900       1.120000      -1.601500    
 H   -2.918600       2.536000      -2.854500    
 H  -0.5068000       2.466800      -2.310400    
 H    3.806100       3.270500       1.341800    
 H    2.298000       3.338900       2.279900    
 H    3.477200       2.051900       2.613900    
 H    1.992100     -0.6328000       2.308300    
 H    2.506600      -2.286900       1.926800    
 H    3.734400      -1.052600       2.281000    
 H    2.267100      -1.516800      -3.879200    
 H    2.694100      -2.976500      -2.958400    
 H    1.035500      -2.282300      -2.851000    


%chk=000047755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047755

0 1
S 3.391681 0.751191 -0.060052
O -1.127118 -0.335594 0.762730
O 0.636798 1.492066 -0.694603
O 0.141179 2.632565 1.314479
O 2.013181 -1.295127 -1.610370
O 1.674633 -2.841018 0.120053
N 2.282030 1.787765 0.910957
N 2.967584 -0.914467 0.459594
C -2.273292 -1.320777 1.079138
C -3.521009 -0.710604 0.350153
C -2.913947 0.260166 -0.653331
C -1.555968 0.445219 -0.309563
C -2.388813 -1.352489 2.604950
C -1.853175 -2.673291 0.479386
C -3.468144 0.962114 -1.737881
C -0.744042 1.353307 -1.014883
C -2.645172 1.858195 -2.470292
C -1.292281 2.057859 -2.104929
C 0.945175 2.015183 0.580328
C 2.742085 2.309784 2.219634
C 3.304649 -1.333655 1.836153
C 2.156141 -1.758359 -0.310337
C 1.087414 -2.076866 -2.455667
H -4.125808 -1.503639 -0.124140
H -4.171262 -0.172484 1.066871
H -2.573473 -0.339434 3.001232
H -3.223279 -2.010173 2.910307
H -1.458857 -1.739531 3.056141
H -2.557075 -3.465361 0.795922
H -1.858828 -2.630583 -0.625216
H -0.834626 -2.945190 0.804116
H -4.519336 0.826293 -2.014689
H -3.058409 2.409246 -3.321104
H -0.651980 2.753758 -2.655763
H 3.838226 2.222709 2.263056
H 2.449162 3.368057 2.319859
H 2.289407 1.747237 3.057002
H 2.565891 -0.951219 2.565813
H 3.299188 -2.433874 1.884723
H 4.306223 -0.951523 2.092620
H 1.179523 -1.627034 -3.453970
H 1.376831 -3.141339 -2.466278
H 0.056093 -1.976783 -2.077353


