%chk=000128537.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128537

0 1
 S   -3.913200      0.5542000      0.3364000    
 O   -3.921000      0.3894000       1.778700    
 O   -4.188700       1.856500     -0.2437000    
 N   0.5718000       2.187200      0.5007000    
 N   -2.400000      4.9999999E-03 -0.2496000    
 N    4.850400      -1.520500      -1.589100    
 N   -5.000700     -0.6060000     -0.3563000    
 C    1.658200       1.196900      0.3583000    
 C    1.199600     -0.1830000      0.9900000    
 C  -0.1195000     -0.6557000      0.3640000    
 C   -1.176300      0.4403000      0.4680000    
 C    2.253100       1.076900      -1.100000    
 C  -0.6849000       1.763100     -0.1245000    
 C    2.270900      -1.239600      0.8270000    
 C    3.237400     -4.2800002E-02  -1.171500    
 C    3.172600      -1.091000     -0.2319000    
 C   0.9526000       3.526100      6.0300000E-02
 C    4.175700      -2.005100     -0.4896000    
 C    2.415200      -2.378700       1.625200    
 C    4.288400     -0.3311000      -2.010300    
 C    2.243400       3.963000      0.7482000    
 C    4.338600      -3.143400      0.3010000    
 C    3.433400      -3.308400       1.364400    
 C    2.650900       5.365100      0.3222000    
 C   -5.020900     -0.6917000      -1.842800    
 C   -4.959900      -1.960600      0.2593000    
 C   -6.390700      -1.139800      -2.310800    
 C   -5.936400      -2.026300       1.416200    
 H    2.489400       1.486800       1.015000    
 H    1.045100     -2.1199999E-02   2.066500    
 H  -0.4773000      -1.564100      0.8663000    
 H   3.1099999E-02 -0.9344000     -0.6881000    
 H   -1.404800      0.5797000       1.532000    
 H    1.456000      0.8799000      -1.825700    
 H    2.747900       2.007200      -1.397700    
 H   -1.453400       2.525900      5.4699998E-02
 H  -0.5803000       1.683900      -1.214100    
 H    1.066300       3.577000      -1.029600    
 H   0.1593000       4.235100      0.3292000    
 H   -2.284000      1.4600000E-02  -1.272100    
 H    1.735300      -2.551600       2.455400    
 H    4.695000      0.1909000      -2.865000    
 H    2.121100       3.940500       1.837900    
 H    3.095600       3.326000      0.4965000    
 H    5.643700      -1.968700      -2.026100    
 H    5.121200      -3.868300      0.1085000    
 H    3.524800      -4.184900       2.002300    
 H    3.574600       5.663100      0.8286000    
 H    1.874800       6.093600      0.5779000    
 H    2.825000       5.412600     -0.7577000    
 H   -4.245000      -1.378100      -2.199200    
 H   -4.817800      0.2941000      -2.274200    
 H   -3.946500      -2.187800      0.6093000    
 H   -5.204200      -2.747200     -0.4610000    
 H   -6.634300      -2.156500      -1.990100    
 H   -7.171800     -0.4746000      -1.926800    
 H   -6.438200      -1.120400      -3.404400    
 H   -5.694000      -1.317000       2.211200    
 H   -6.954700      -1.807800       1.077100    
 H   -5.934400      -3.029600       1.854200    


%chk=000128537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128537

0 1
S -3.897495 0.798853 -0.926359
O -3.775616 1.735343 0.391623
O -4.253555 1.429956 -2.382420
N 0.560277 2.003870 0.289673
N -2.259997 -0.167487 -1.124275
N 5.276157 -1.497257 -1.343877
N -5.203539 -0.519423 -0.570909
C 1.681781 1.029462 0.236645
C 1.134269 -0.384542 0.641347
C -0.065614 -0.803966 -0.258162
C -1.165545 0.282902 -0.218290
C 2.480939 1.046375 -1.124384
C -0.577465 1.665687 -0.589017
C 2.233747 -1.438951 0.605901
C 3.522271 -0.045720 -1.112815
C 3.313705 -1.192877 -0.269471
C 0.936137 3.438359 0.225684
C 4.410388 -2.094098 -0.416702
C 2.273093 -2.637437 1.345190
C 4.738317 -0.255059 -1.760146
C 1.878415 3.890437 1.361365
C 4.447008 -3.302919 0.317598
C 3.364229 -3.550226 1.193408
C 2.071122 5.422822 1.360987
C -5.537144 -1.256995 -1.833410
C -4.782528 -1.400670 0.570104
C -7.003605 -1.726999 -1.766544
C -5.026036 -0.763151 1.947606
H 2.400670 1.312745 1.028037
H 0.747649 -0.280039 1.674983
H -0.478826 -1.768938 0.085719
H 0.281345 -0.955961 -1.299955
H -1.579050 0.348432 0.804690
H 1.778063 0.904063 -1.970146
H 2.937204 2.044851 -1.261991
H -1.359849 2.433773 -0.452038
H -0.308918 1.652545 -1.680286
H 1.393436 3.718297 -0.758297
H -0.004264 4.017890 0.305747
H -2.028734 0.000640 -2.125851
H 1.469099 -2.879122 2.051111
H 5.271753 0.364260 -2.479345
H 1.448626 3.559124 2.326189
H 2.867916 3.402281 1.263939
H 6.162242 -1.882520 -1.662274
H 5.269592 -4.021048 0.229241
H 3.364725 -4.474361 1.782989
H 2.759841 5.738410 2.165286
H 1.108366 5.945029 1.515647
H 2.492685 5.773160 0.399487
H -4.851197 -2.116243 -1.996407
H -5.418468 -0.550225 -2.673770
H -3.726654 -1.728156 0.446199
H -5.408429 -2.307970 0.468432
H -7.175776 -2.429327 -0.931090
H -7.674330 -0.861976 -1.633819
H -7.270553 -2.244422 -2.706405
H -4.416430 0.144187 2.086559
H -6.086729 -0.478267 2.054365
H -4.773221 -1.488698 2.743304


