%chk=000003534.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003534

0 1
 S    1.094800       2.346400     -0.1638000    
 O   -6.808100      -1.442900      0.1917000    
 N   -4.281200     -0.2148000      0.2664000    
 N    4.687800      -1.533200     -0.2559000    
 N    4.681800      1.2400000E-02   1.592700    
 N    3.170800       1.741000       1.746800    
 N    6.245600      -1.728900       1.487800    
 C   -4.409400      -1.627300     -0.1176000    
 C   -5.492700      0.5931000      8.8900000E-02
 C   -5.659000      -2.223100      0.5210000    
 C   -6.684700     -0.1213000      0.7160000    
 C   -3.021700      0.3850000      0.1655000    
 C   -1.946900     -0.1225000      0.8954000    
 C   -2.840700       1.491000     -0.6650000    
 C  -0.5104000       1.581700     -3.5500001E-02
 C  -0.6909000      0.4760000      0.7948000    
 C   -1.584700       2.089500     -0.7655000    
 C    1.977300      0.8998000     -0.7796000    
 C    3.067700      0.2341000     -0.1929000    
 C    3.644800     -0.8889000     -0.8082000    
 C    1.454200      0.4481000      -1.987300    
 C    3.637900      0.6340000       1.012400    
 C    3.101200      -1.319300      -2.016100    
 C    2.016900     -0.6627000      -2.606000    
 C    5.149800      -1.047400      0.9140000    
 H   -3.541100      -2.221000      0.1878000    
 H   -4.487600      -1.684700      -1.210400    
 H   -5.679000      0.7333000     -0.9830000    
 H   -5.387300       1.577900      0.5593000    
 H   -5.822700      -3.237900      0.1449000    
 H   -5.560000      -2.284500       1.611500    
 H   -6.592100     -0.1698000       1.807700    
 H   -7.607900      0.4200000      0.4857000    
 H   -2.071700     -0.9738000       1.559500    
 H   -3.651600       1.903700      -1.258200    
 H   0.1274000      6.9300003E-02   1.383800    
 H   -1.461300       2.948500      -1.420400    
 H   0.6290000      0.9399000      -2.496500    
 H    3.524200      -2.185500      -2.521400    
 H    1.618500      -1.019100      -3.551600    
 H    2.225100       1.630400       2.101700    
 H    3.283200       2.630100       1.267900    
 H    6.628600      -1.404300       2.364900    
 H    6.633200      -2.533400       1.014800    


%chk=000003534-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003534

0 1
S 1.222271 -1.747834 1.824795
O -7.111896 0.750980 -0.604745
N -4.422556 0.020706 0.213911
N 4.813356 0.619463 -1.493130
N 4.382857 1.641054 0.685303
N 2.886313 0.818578 2.229326
N 5.925458 2.559391 -0.804594
C -5.583763 -0.803460 0.610441
C -4.669540 0.797593 -1.026370
C -6.861539 0.055216 0.665272
C -5.963599 1.618726 -0.908032
C -3.112857 -0.409197 0.536189
C -2.871574 -1.650397 1.200686
C -1.976440 0.408258 0.240347
C -0.461970 -1.215960 1.266722
C -1.565187 -2.045167 1.558541
C -0.677273 0.015459 0.606110
C 2.224801 -1.492079 0.260039
C 3.156203 -0.415773 0.071352
C 3.888041 -0.365835 -1.189667
C 2.026571 -2.465621 -0.730357
C 3.476472 0.681652 0.998685
C 3.656638 -1.369331 -2.183157
C 2.741036 -2.398083 -1.959744
C 5.010102 1.563709 -0.541684
H -5.414036 -1.219139 1.619177
H -5.734184 -1.653397 -0.094811
H -4.758047 0.106950 -1.895787
H -3.829636 1.481062 -1.225847
H -7.746645 -0.578987 0.837365
H -6.771726 0.799580 1.486351
H -5.853288 2.387334 -0.112353
H -6.205213 2.107303 -1.866077
H -3.694110 -2.338236 1.414333
H -2.101890 1.378274 -0.249786
H -1.408134 -3.012315 2.048300
H 0.168277 0.672379 0.375186
H 1.314441 -3.275959 -0.548679
H 4.228249 -1.290398 -3.112311
H 2.571288 -3.163961 -2.724298
H 2.205140 0.132653 2.569690
H 3.186941 1.610801 2.795845
H 6.095825 3.274313 -0.103675
H 6.421924 2.548597 -1.690863


