%chk=000055250.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055250

0 1
 S   0.4454000       1.632900     -0.7853000    
 O    1.768400      0.9696000     -0.1487000    
 O   -2.892400      0.8419000       1.061600    
 O   0.1237000      0.9701000      -2.091400    
 O   -2.419000       1.125600      -1.183000    
 N  -0.7137000       1.314600      0.4110000    
 N    7.801900      -2.216900      4.2199999E-02
 C   -6.454600      -2.285300     -0.2538000    
 C   -5.987500     -0.9018000      4.8000000E-02
 C    4.096000      0.4118000     -0.2165000    
 C    5.394600      0.5087000      -1.015400    
 C   -6.338800      -3.224400      0.9620000    
 C   -5.725200      -2.903100      -1.461900    
 C   -4.660200     -0.6777000      0.4138000    
 C   -6.878100      0.1684000     -3.5700001E-02
 C    2.939000       1.080200     -0.9456000    
 C    6.532200     -0.1911000     -0.3170000    
 C   -4.223500      0.6167000      0.6956000    
 C   -6.441500       1.462900      0.2462000    
 C   -5.114300       1.687000      0.6119000    
 C    7.346100      0.4873000      0.5835000    
 C    6.799500      -1.530400     -0.5509000    
 C   -2.033300       1.096700     -1.5000000E-02
 C    8.387600     -0.1847000       1.213600    
 C    8.571800      -1.524300      0.9113000    
 C  -0.3242000       1.265200       1.819400    
 H   -7.520200      -2.250100     -0.5189000    
 H    3.840700     -0.6379000     -2.0700000E-02
 H    4.218000      0.8720000      0.7727000    
 H    5.258700      7.1699999E-02  -2.012900    
 H    5.659300       1.560800      -1.180800    
 H   -5.296400      -3.386800       1.256500    
 H   -6.777200      -4.202200      0.7347000    
 H   -6.870800      -2.810000       1.825600    
 H   -4.658400      -3.052400      -1.263800    
 H   -5.815800      -2.257500      -2.342500    
 H   -6.157200      -3.877800      -1.713500    
 H   -3.953600      -1.500600      0.4840000    
 H    3.169900       2.138800      -1.118700    
 H    2.782500      0.5885000      -1.913700    
 H   -7.915400      1.1700000E-02 -0.3192000    
 H   -7.134800       2.296300      0.1810000    
 H   -4.779800       2.697400      0.8306000    
 H    7.176700       1.537900      0.8027000    
 H    6.198400      -2.113800      -1.241400    
 H    9.034300      0.3237000       1.919500    
 H    9.369900      -2.093800       1.376100    
 H   0.4726000       1.989900       2.012200    
 H   -1.165300       1.500200       2.476100    
 H   2.9899999E-02  0.2546000       2.042800    


%chk=000055250-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055250

0 1
S 0.901700 -3.508914 -1.696511
O 1.577854 -1.966393 -2.560393
O -1.391851 -1.661058 1.019558
O 2.214452 -4.295468 -1.151884
O -1.613471 -2.105968 -1.311927
N 0.228034 -2.825689 -0.072241
N 5.076303 1.606752 2.490311
C -5.709587 0.572189 -0.474271
C -4.696122 0.161524 0.598392
C 3.058521 -0.505616 -1.183519
C 4.533854 -0.095593 -0.908482
C -6.333399 -0.664815 -1.173708
C -5.079764 1.534996 -1.516305
C -3.532444 -0.568695 0.235134
C -4.903687 0.500889 1.957291
C 2.976648 -1.644473 -2.210708
C 4.638008 0.993717 0.144371
C -2.614218 -0.938235 1.238615
C -3.968528 0.121050 2.948650
C -2.813427 -0.603864 2.596356
C 4.344757 2.350286 -0.149712
C 5.001376 0.688356 1.482218
C -0.992943 -2.181145 -0.221030
C 4.419097 3.318297 0.875049
C 4.784137 2.903599 2.177228
C 1.021409 -2.947551 1.148905
H -6.528267 1.118691 0.036307
H 2.585551 -0.818526 -0.233814
H 2.487757 0.365983 -1.554226
H 5.102831 -0.986989 -0.578763
H 4.995278 0.247354 -1.855998
H -5.562242 -1.249557 -1.707925
H -7.091321 -0.348289 -1.914269
H -6.820416 -1.335013 -0.442627
H -4.264043 1.038410 -2.073398
H -4.659738 2.433579 -1.029443
H -5.840482 1.860331 -2.249954
H -3.346055 -0.848281 -0.803079
H 3.434154 -1.357078 -3.176817
H 3.493775 -2.557472 -1.840336
H -5.800410 1.064289 2.240973
H -4.138517 0.389362 3.996931
H -2.072395 -0.909707 3.340427
H 4.067294 2.643570 -1.169582
H 5.249653 -0.343871 1.762599
H 4.201722 4.372382 0.674938
H 4.851193 3.622560 3.001665
H 1.910033 -3.563598 0.907524
H 1.345975 -1.959737 1.521071
H 0.437862 -3.456073 1.934710


