%chk=000004747.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004747

0 1
 S   -4.505300     -4.6000000E-02  0.1656000    
 O    6.474400     -0.6940000      0.1947000    
 N    3.341100       1.131300     -0.2567000    
 N   -1.534500      0.4218000     -0.6222000    
 N   0.5196000      -5.142800     -9.7900003E-02
 C    3.475200     -9.2299998E-02  0.5448000    
 C    4.579000       1.422800     -0.9922000    
 C    5.938300      0.4189000      0.9063000    
 C    4.613100      3.5300002E-02   1.562500    
 C    5.760300       1.609400     -3.4600001E-02
 C    2.212400       1.017000      -1.180300    
 C   0.8926000      0.7759000     -0.4444000    
 C  -0.3011000      0.6341000      -1.390700    
 C   -1.882900     -0.9151000     -0.3030000    
 C   -2.247600       1.572700     -0.2010000    
 C   -3.193400      -1.249400      9.1799997E-02
 C   -3.594400       1.484900      0.2035000    
 C  -0.9351000      -1.961600     -0.3297000    
 C   -1.639700       2.845500     -0.1324000    
 C   -3.531800      -2.575600      0.4147000    
 C   -4.294900       2.628200      0.6272000    
 C   -1.275600      -3.277100     -3.0000000E-03
 C   -2.339200       3.977800      0.2944000    
 C   -2.576100      -3.585000      0.3666000    
 C   -3.669100       3.869600      0.6714000    
 C  -0.2852000      -4.306400     -5.5300001E-02
 H    3.642200     -0.9684000     -9.5100001E-02
 H    2.590000     -0.2891000       1.153900    
 H    4.460800       2.348200      -1.569100    
 H    4.806800      0.6214000      -1.707200    
 H    6.670300      0.6789000       1.679200    
 H    4.345600      0.8010000       2.302100    
 H    4.717200     -0.9153000       2.098800    
 H    6.672100       1.761200     -0.6241000    
 H    5.596700       2.517100      0.5602000    
 H    2.117100       1.947300      -1.754400    
 H    2.380600      0.2075000      -1.902900    
 H   0.7430000       1.586800      0.2760000    
 H   0.9431000     -0.1233000      0.1667000    
 H  -0.1323000     -0.1822000      -2.105600    
 H  -0.3855000       1.518100      -2.036700    
 H    6.588300      -1.421400      0.8297000    
 H   9.2500001E-02  -1.793700     -0.6364000    
 H  -0.6106000       3.016600     -0.4293000    
 H   -4.546800      -2.836500      0.7081000    
 H   -5.338600       2.563200      0.9282000    
 H   -1.841400       4.942700      0.3252000    
 H   -2.862600      -4.602200      0.6215000    
 H   -4.217900       4.746600       1.000400    


%chk=000004747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004747

0 1
S -4.689525 -0.019956 -0.180193
O 6.678108 -0.557187 0.051350
N 3.423048 0.973936 -0.222957
N -1.620135 0.458768 -0.668237
N 0.451837 -5.146473 -0.121739
C 3.701530 -0.204546 0.642296
C 4.633653 1.332693 -1.017828
C 6.128284 0.540346 0.880937
C 4.849152 0.100245 1.624841
C 5.813788 1.687271 -0.093209
C 2.243591 0.765095 -1.096707
C 0.908578 0.780162 -0.321384
C -0.294580 0.682131 -1.297559
C -1.988840 -0.875669 -0.340718
C -2.354812 1.598255 -0.210855
C -3.334624 -1.228686 -0.012245
C -3.737189 1.518422 0.120038
C -1.030844 -1.925106 -0.353294
C -1.731395 2.871280 -0.079674
C -3.682388 -2.549802 0.334713
C -4.449214 2.637161 0.593103
C -1.392658 -3.264853 -0.047291
C -2.454172 4.003398 0.354172
C -2.725388 -3.582758 0.314493
C -3.815403 3.895219 0.704524
C -0.386794 -4.293341 -0.089028
H 3.970252 -1.097617 0.021957
H 2.792842 -0.455748 1.216781
H 4.384966 2.203773 -1.652569
H 4.940115 0.493977 -1.689441
H 6.897224 0.866245 1.614155
H 4.536073 0.917694 2.302427
H 5.053330 -0.792643 2.249717
H 6.712394 1.903542 -0.698991
H 5.563398 2.590381 0.494344
H 2.230970 1.587648 -1.839807
H 2.324360 -0.191644 -1.680718
H 0.863041 1.705618 0.279492
H 0.868277 -0.055415 0.399664
H -0.123029 -0.144569 -2.012493
H -0.361632 1.602361 -1.905597
H 6.840567 -1.345234 0.629560
H 0.011930 -1.725499 -0.602746
H -0.670641 2.989994 -0.307792
H -4.720950 -2.772580 0.600056
H -5.507217 2.525466 0.854021
H -1.938957 4.966879 0.429560
H -3.002179 -4.610064 0.565257
H -4.378042 4.765829 1.054916


