%chk=000047660.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047660

1 1
 S    3.201800       3.411600      0.1986000    
 O    2.669100     -0.3603000      0.3132000    
 O    2.387200       4.297300       1.298100    
 O    3.589000      0.8908000      -1.390800    
 O    3.009800       3.996800      -1.112800    
 O    4.521200       3.114700      0.7191000    
 N    3.605400      -3.940800      0.1106000    
 C  -0.2345000       1.210000      0.2896000    
 C   -1.620300       1.499900     -0.2916000    
 C   0.8201000       2.156100     -0.2928000    
 C   -2.669800      0.5370000      0.2662000    
 C    2.933200      -2.730600      0.6470000    
 C    2.209300       1.946300      0.3150000    
 C   -4.049300      0.8047000     -0.3402000    
 C   -5.103300     -0.1380000      0.2446000    
 C    3.284600      -1.537400     -0.2195000    
 C   -6.499700      6.5300003E-02 -0.3503000    
 C    3.297600      -5.166200      0.9818000    
 C    5.127700      -3.748400      7.7500001E-02
 C    3.130600      -4.239300      -1.318000    
 C    2.907500      0.7940000     -0.3789000    
 C   -7.568200     -0.8262000      0.2863000    
 C   -8.937500     -0.5911000     -0.3529000    
 C   -10.01160      -1.446300      0.3004000    
 H  -0.2657000       1.319200       1.380400    
 H   3.8899999E-02  0.1708000      7.4400000E-02
 H   -1.908800       2.532500     -6.0800001E-02
 H   -1.584900       1.410100      -1.384200    
 H   0.4812000       3.183800     -0.1121000    
 H   0.8584000       2.032700      -1.382900    
 H   -2.719500      0.6422000       1.356800    
 H   -2.371300     -0.4969000      5.4099999E-02
 H    3.259200      -2.573000       1.682400    
 H    1.849900      -2.901400      0.6645000    
 H    2.154300       1.726000       1.388600    
 H   -4.342700       1.843900     -0.1489000    
 H   -4.004900      0.6755000      -1.428300    
 H   -5.152200      8.3999997E-03   1.330800    
 H   -4.794100      -1.177600      7.9300001E-02
 H    2.914900      -1.655000      -1.242200    
 H    4.360500      -1.344300     -0.2389000    
 H   -6.790200       1.116300     -0.2283000    
 H   -6.459400     -0.1283000      -1.429400    
 H    3.803100      -6.038100      0.5564000    
 H    2.213800      -5.314800      0.9873000    
 H    3.663800      -4.964500       1.992700    
 H    5.402300      -3.063300     -0.7281000    
 H    5.587600      -4.721800     -0.1218000    
 H    5.451100      -3.373900       1.053100    
 H    3.510400      -5.226000      -1.602100    
 H    3.533500      -3.495600      -2.009500    
 H    2.036800      -4.240700      -1.325300    
 H   -7.283500      -1.879100      0.1724000    
 H   -7.621800     -0.6198000       1.362100    
 H   -9.215700      0.4652000     -0.2604000    
 H   -8.893300     -0.8227000      -1.423400    
 H   -10.10410      -1.213700       1.366100    
 H   -9.779800      -2.511400      0.1997000    
 H   -10.98150      -1.263400     -0.1726000    
 H    2.508700       4.024800       2.237900    


%chk=000047660-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047660

1 1
S 3.216593 1.171107 0.829809
O 2.604287 -1.924318 1.701252
O 3.388381 1.652586 2.599523
O 1.589840 -1.793014 -0.404220
O 2.965535 2.473911 -0.082669
O 4.458570 0.192162 0.422950
N 5.340557 -3.118171 -0.333335
C -1.022709 0.161844 0.847941
C -2.190323 0.877520 0.127118
C 0.348358 0.787745 0.437993
C -3.562621 0.246649 0.454371
C 4.796535 -2.855162 1.095171
C 1.471508 0.098407 1.175828
C -4.731541 0.957054 -0.267092
C -6.104089 0.304169 0.013615
C 3.306874 -3.184231 1.339362
C -7.271539 1.012142 -0.710969
C 6.783643 -2.604534 -0.357840
C 4.549845 -2.362418 -1.407172
C 5.328622 -4.612479 -0.639283
C 1.851024 -1.289390 0.708896
C -8.642634 0.346485 -0.454604
C -9.809303 1.053072 -1.182528
C -11.174020 0.376927 -0.929101
H -1.161363 0.238812 1.944658
H -1.037564 -0.913916 0.585480
H -2.197996 1.949506 0.410676
H -2.022499 0.840571 -0.968431
H 0.339381 1.865090 0.684144
H 0.480490 0.688046 -0.654045
H -3.735739 0.276502 1.549959
H -3.554158 -0.825037 0.165967
H 4.947613 -1.778175 1.288636
H 5.445543 -3.443146 1.765456
H 1.464156 0.186702 2.274023
H -4.762042 2.022564 0.041225
H -4.543470 0.953817 -1.360935
H -6.296984 0.304979 1.106676
H -6.074125 -0.761198 -0.297003
H 3.190264 -3.823670 2.226142
H 2.793965 -3.654641 0.481701
H -7.314044 2.073767 -0.389690
H -7.071120 1.025560 -1.802842
H 7.218580 -2.809849 -1.347731
H 7.367646 -3.118715 0.421058
H 6.770135 -1.520212 -0.170255
H 3.511347 -2.721615 -1.434622
H 5.038255 -2.541222 -2.377663
H 4.561074 -1.290181 -1.154485
H 5.753113 -4.775978 -1.641517
H 4.293433 -4.984218 -0.619622
H 5.933746 -5.143178 0.112044
H -8.602251 -0.715321 -0.776455
H -8.848147 0.332964 0.636281
H -9.853687 2.112469 -0.857235
H -9.601305 1.071055 -2.271953
H -11.421882 0.374207 0.149109
H -11.165801 -0.674404 -1.273697
H -11.989708 0.899795 -1.460942
H 4.008649 2.436206 2.670870


