%chk=000135807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135807

0 1
 S    3.146600      0.9945000      -2.762100    
 O   -3.077200       1.203600      -1.230800    
 O    2.327500      -1.342200      0.9476000    
 O   -2.641600       1.556800       1.015300    
 O    2.508000      -1.738100      -1.326200    
 N   -1.668400      -2.714900      9.6299998E-02
 N   0.9256000       2.082800      -1.506700    
 C  -0.3296000     -0.2751000     -0.4253000    
 C   -1.828800     -0.3627000     -0.1129000    
 C   0.3955000      -1.614200     -0.2587000    
 C   0.3140000      0.7677000      0.4430000    
 C   -2.427200      -1.554500      0.1134000    
 C  -0.2901000      -2.758300     -3.7799999E-02
 C   0.9092000       1.891500     -0.1197000    
 C   0.3037000      0.5881000       1.822300    
 C   -3.892600      -1.759500      0.3875000    
 C   0.3173000      -4.129300      8.7300003E-02
 C   -2.556200      0.9130000     -1.4300000E-02
 C    1.866200      -1.577500     -0.3044000    
 C    1.501000       2.847100      0.7064000    
 C   0.8955000       1.543700       2.648300    
 C    1.494200       2.673200       2.090400    
 C   -3.819300       2.425700      -1.297100    
 C    3.752300      -1.276900       1.067200    
 C    1.874500       1.615400      -2.029100    
 H  -0.2664000     -2.3100000E-02  -1.490600    
 H   -2.150300      -3.591200      0.2630000    
 H  -0.1583000     -0.2819000       2.281500    
 H   -4.331100      -2.416000     -0.3717000    
 H   -4.031600      -2.225400       1.369000    
 H   -4.461900     -0.8256000      0.3824000    
 H   0.1009000      -4.549600       1.075200    
 H  -0.1012000      -4.798800     -0.6720000    
 H    1.403500      -4.127800     -4.0100001E-02
 H    1.968800       3.732800      0.2840000    
 H   0.8899000       1.408400       3.725800    
 H    1.954500       3.417400       2.733600    
 H   -4.678200       2.384300     -0.6203000    
 H   -4.184000       2.546900      -2.320500    
 H   -3.173600       3.274300      -1.051400    
 H    4.138400     -0.4230000      0.5027000    
 H    4.208000      -2.209200      0.7202000    
 H    3.997800      -1.138500       2.123500    


%chk=000135807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135807

0 1
S 1.305751 2.837717 -3.706563
O -1.954267 1.511181 -1.499229
O 2.598482 -2.670396 -0.105153
O -3.967835 0.559783 -0.809911
O 2.389362 -0.514894 -0.962167
N -1.511347 -2.500139 1.020489
N 1.005733 2.362770 -0.925706
C -0.299836 -0.212867 -0.191228
C -1.819342 -0.435551 -0.155863
C 0.464363 -1.521000 0.086855
C 0.125909 0.877860 0.813733
C -2.369818 -1.517584 0.506845
C -0.138097 -2.580549 0.741924
C 0.764444 2.090269 0.405053
C -0.101791 0.689671 2.198146
C -3.843336 -1.793374 0.713296
C 0.504038 -3.877819 1.188186
C -2.703473 0.542642 -0.810658
C 1.862190 -1.495706 -0.369364
C 1.161364 3.058923 1.369699
C 0.284925 1.648227 3.158243
C 0.923562 2.839038 2.738758
C -2.738056 2.520641 -2.243656
C 4.003757 -2.634282 -0.573648
C 1.134653 2.549888 -2.107546
H -0.017676 0.138637 -1.196219
H -1.939427 -3.286830 1.509672
H -0.594443 -0.232382 2.527180
H -4.358084 -1.931954 -0.252606
H -3.993789 -2.698098 1.332094
H -4.344736 -0.937507 1.192706
H -0.207357 -4.488560 1.774785
H 0.843377 -4.467586 0.320322
H 1.400768 -3.688222 1.797922
H 1.652964 3.973705 1.024083
H 0.092557 1.470614 4.221865
H 1.233100 3.591701 3.471707
H -3.449437 2.026930 -2.926896
H -1.987830 3.099140 -2.801399
H -3.297792 3.161248 -1.540991
H 4.546534 -1.799067 -0.099877
H 4.040551 -2.507903 -1.668782
H 4.424683 -3.604416 -0.271901


