%chk=000063032.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063032

0 1
 S    2.216800       1.319800      -1.023600    
 O    1.688800      0.9794000      -2.387000    
 N  -3.6699999E-02 -0.2814000      0.4210000    
 N   -3.408600      -1.764400     -0.2132000    
 C   -2.252100     -0.9021000     -0.4636000    
 C   -1.222300      -1.112700      0.6512000    
 C  -0.1996000       1.121600      0.4188000    
 C    1.223000     -0.9187000      0.3768000    
 C   0.7842000       1.956200     -0.1412000    
 C    2.335400     -0.2683000     -0.1868000    
 C   -1.684800      -1.230400      -1.844500    
 C   -1.313400       1.748800       1.016200    
 C    1.437600      -2.196700      0.9348000    
 C   -4.438700      -1.541900      -1.226400    
 C   -3.945000      -1.521800       1.124800    
 C   0.6467000       3.354400     -0.1047000    
 C    3.600000     -0.8809000     -0.1913000    
 C   -1.445300       3.139600       1.051300    
 C    2.697200      -2.801600      0.9291000    
 C  -0.4633000       3.943300      0.4915000    
 C    3.780200      -2.142200      0.3667000    
 H   -2.586300      0.1402000     -0.4974000    
 H   -1.586500     -0.9009000       1.661200    
 H   -1.007000      -2.185200      0.6376000    
 H   -1.484700      -2.302500      -1.955300    
 H   -2.347600     -0.9155000      -2.656800    
 H  -0.7415000     -0.7059000      -2.027400    
 H   -2.097300       1.179400       1.507400    
 H   0.6569000      -2.746600       1.451500    
 H   -4.146300      -1.932600      -2.205800    
 H   -4.711300     -0.4847000      -1.325200    
 H   -5.351300      -2.094800     -0.9715000    
 H   -4.914700      -2.021500       1.244000    
 H   -4.102100     -0.4571000       1.332500    
 H   -3.320300      -1.964100       1.907000    
 H    1.402100       3.998000     -0.5503000    
 H    4.456600     -0.3819000     -0.6394000    
 H   -2.312500       3.589800       1.525700    
 H    2.830500      -3.781200       1.379100    
 H  -0.5611000       5.024300      0.5160000    
 H    4.761200      -2.607100      0.3608000    


%chk=000063032-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063032

0 1
S 1.983883 1.248503 -1.329456
O 1.007560 0.713435 -2.594266
N -0.016994 -0.301535 0.499145
N -3.512419 -1.640659 -0.139106
C -2.280312 -0.869533 -0.504096
C -1.236821 -1.141724 0.626757
C -0.139422 1.109231 0.561580
C 1.256938 -0.914726 0.377742
C 0.801975 1.971453 -0.065645
C 2.335169 -0.272046 -0.291355
C -1.669977 -1.245351 -1.867194
C -1.183946 1.726111 1.311728
C 1.531864 -2.175855 0.984469
C -4.349650 -2.114458 -1.262018
C -4.341115 -0.929174 0.858959
C 0.748773 3.371325 0.072692
C 3.625485 -0.831590 -0.351259
C -1.246604 3.125804 1.443818
C 2.817222 -2.745935 0.913620
C -0.275402 3.962413 0.841064
C 3.879043 -2.078696 0.255800
H -2.511106 0.223731 -0.530086
H -1.696616 -1.024099 1.626000
H -0.945562 -2.197442 0.527984
H -1.418281 -2.322300 -1.908966
H -2.358783 -1.013511 -2.697659
H -0.745056 -0.661792 -2.042151
H -1.930734 1.107335 1.816937
H 0.751158 -2.692078 1.550489
H -3.757775 -2.732602 -1.953573
H -4.825015 -1.289687 -1.849881
H -5.158950 -2.747243 -0.853357
H -5.160923 -1.587667 1.197823
H -4.795558 0.012090 0.457294
H -3.743879 -0.662268 1.749022
H 1.490611 3.993645 -0.441044
H 4.418985 -0.302680 -0.891763
H -2.056323 3.568581 2.034417
H 2.996604 -3.713234 1.395849
H -0.328021 5.049613 0.952617
H 4.876874 -2.525287 0.210666


