%chk=000153549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153549

0 1
 S   -6.172600      -1.181800      0.3379000    
 O   -7.567900      -1.022800      0.7027000    
 O   -5.805900      -1.691600     -0.9686000    
 N  -0.1105000      0.9193000      -1.280400    
 N    3.620800       1.011100      0.6263000    
 N    4.085900      -3.747900      0.1656000    
 N   -5.349900      0.2929000      0.6764000    
 C    1.154700      0.9504000     -0.6338000    
 C    1.866900     -0.2385000     -0.4465000    
 C    1.676800       2.169700     -0.1903000    
 C    3.113400     -0.1607000      0.1972000    
 C    2.930700       2.153300      0.4435000    
 C    3.332800      -2.574300     -4.4700000E-02
 C    1.366300      -1.477800     -0.8819000    
 C    3.827300      -1.341000      0.3867000    
 C    2.099600      -2.643300     -0.6804000    
 C   -1.415100      0.7654000     -0.7933000    
 C   0.9828000       3.379700     -0.3651000    
 C    3.455900       3.364100      0.8872000    
 C    1.529800       4.576500      8.7600000E-02
 C    2.769000       4.568400      0.7150000    
 C   -2.503600      0.7738000      -1.672900    
 C   -1.642600      0.5995000      0.5778000    
 C   -4.021100      0.4534000      0.1798000    
 C   -3.802300      0.6184000      -1.187900    
 C   -2.941200      0.4440000       1.062500    
 C    3.422000      -5.023300      0.3488000    
 C    5.534400      -3.696400      0.1877000    
 C   -5.436400      -2.240600       1.563100    
 H   0.4089000      -1.566100      -1.388900    
 H    4.786700      -1.279100      0.8974000    
 H  -3.9400000E-02   1.037000      -2.286900    
 H    1.688000      -3.581200      -1.041200    
 H   1.3900000E-02   3.422800     -0.8558000    
 H    4.425300       3.383900       1.381900    
 H   0.9924000       5.509800     -4.9699999E-02
 H   -2.349000      0.9037000      -2.741200    
 H  -0.8207000      0.5872000       1.288800    
 H    3.205000       5.496800       1.071800    
 H   -4.634100      0.6407000      -1.887100    
 H   -3.099800      0.3146000       2.130000    
 H    4.089200      -5.750900      0.8245000    
 H    3.112100      -5.441400     -0.6147000    
 H    2.544500      -4.929500      0.9986000    
 H    5.895400      -3.344600       1.159800    
 H    5.967400      -4.688200      1.5300000E-02
 H    5.925100      -3.041500     -0.5995000    
 H   -5.486700      0.6605000       1.627600    
 H   -5.597800      -1.807100       2.551900    
 H   -5.927500      -3.214500       1.503200    
 H   -4.372200      -2.353800       1.350900    


%chk=000153549-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153549

0 1
S -6.700029 -0.423011 0.578191
O -8.083300 0.007785 1.322407
O -6.703869 -1.146700 -0.880082
N -0.215127 0.290409 -1.250028
N 3.575861 0.829937 0.733173
N 4.740245 -3.815219 -0.058742
N -5.562070 1.294829 0.355973
C 1.011512 0.490181 -0.552022
C 1.906908 -0.610766 -0.418279
C 1.400631 1.777203 -0.057400
C 3.206424 -0.387736 0.212243
C 2.698115 1.874992 0.610295
C 3.830903 -2.761066 -0.151168
C 1.598822 -1.947158 -0.850676
C 4.136367 -1.465908 0.320410
C 2.516052 -2.980783 -0.729575
C -1.520252 0.552231 -0.801052
C 0.619367 2.971975 -0.228430
C 3.105413 3.150493 1.142052
C 1.058143 4.191614 0.282317
C 2.306118 4.278855 0.989360
C -2.606324 0.380250 -1.714361
C -1.803284 0.950688 0.539638
C -4.216491 1.027219 0.024168
C -3.926593 0.617345 -1.314629
C -3.130018 1.158872 0.944051
C 4.390574 -5.161460 -0.534834
C 6.056336 -3.576890 0.549092
C -5.750918 -1.630515 1.758474
H 0.605509 -2.170606 -1.256458
H 5.089402 -1.227519 0.796546
H -0.146845 -0.243192 -2.119685
H 2.229746 -3.982309 -1.062550
H -0.327494 2.920963 -0.773698
H 4.072867 3.187214 1.652101
H 0.452973 5.093246 0.138740
H -2.399139 0.077178 -2.748223
H -0.986545 1.074163 1.255833
H 2.631649 5.243801 1.393615
H -4.758291 0.504106 -2.015834
H -3.335520 1.447739 1.983298
H 5.251764 -5.831478 -0.387454
H 4.142693 -5.166833 -1.614964
H 3.531798 -5.591290 0.019662
H 5.965883 -3.253314 1.606000
H 6.649068 -4.504375 0.523444
H 6.617977 -2.793185 0.002294
H -5.675390 1.719503 1.299795
H -5.783178 -1.182033 2.760728
H -6.310119 -2.574839 1.703275
H -4.731625 -1.725607 1.359670


