%chk=000047760.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047760

0 1
 S    2.041700      -2.485800      0.9737000    
 O   -2.303200     -0.4264000     -0.5149000    
 O   0.1402000     -0.3002000      0.9709000    
 O    2.418100     -0.7795000      -1.276400    
 O  -0.9946000     -0.9796000       2.870000    
 O   0.9553000      -1.819900      -2.692400    
 N   0.7953000      -2.259300       2.127900    
 N    1.250500      -2.637100     -0.5399000    
 C   -3.463500      1.0600000E-02  -1.280100    
 C   -3.928400       1.383200     -0.7396000    
 C   -2.735000       1.769000      4.6300001E-02
 C   -1.872400      0.6912000      0.1499000    
 C   -4.553700      -1.048500      -1.110100    
 C   -3.044000      9.6400000E-02  -2.753100    
 C   -2.447200       2.970300      0.6691000    
 C  -0.6966000      0.7626000      0.8724000    
 C   -1.259300       3.069100       1.398000    
 C  -0.3896000       1.971200       1.499800    
 C    3.224900       1.925700     -0.5752000    
 C    3.749200       1.155900      -1.785200    
 C    4.247600       2.948300     -8.0799997E-02
 C  -8.7899998E-02  -1.176800       2.061400    
 C    2.720200      0.1646000      -2.309800    
 C    3.716000       3.740500       1.103000    
 C    1.499500      -1.748900      -1.591400    
 C   0.7100000      -3.259800       3.181400    
 C   0.3070000      -3.736800     -0.6751000    
 H   -4.794700       1.294100     -7.5000003E-02
 H   -4.156600       2.096200      -1.537600    
 H   -5.461300     -0.7835000      -1.661800    
 H   -4.812200      -1.174700     -5.2499998E-02
 H   -4.205100      -2.026900      -1.460100    
 H   -2.657300     -0.8675000      -3.103200    
 H   -2.234100      0.8216000      -2.891200    
 H   -3.883000      0.3885000      -3.392900    
 H   -3.124100       3.815000      0.6008000    
 H   -1.007000       4.001800       1.895200    
 H   0.5284000       2.071100       2.073400    
 H    2.293800       2.439900     -0.8436000    
 H    2.985600       1.232800      0.2404000    
 H    4.020000       1.853100      -2.586300    
 H    4.657500      0.6145000      -1.493800    
 H    4.502400       3.642300     -0.8903000    
 H    5.172400       2.438000      0.2126000    
 H    3.131100     -0.3660000      -3.176200    
 H    1.804200      0.6883000      -2.607200    
 H    4.463200       4.465400       1.440800    
 H    3.479700       3.079200       1.942800    
 H    2.808100       4.288900      0.8323000    
 H   0.5329000      -4.242800       2.733800    
 H  -0.1104000      -3.035700       3.868700    
 H    1.647200      -3.271300       3.746700    
 H  -0.5727000      -3.535900     -5.6200001E-02
 H  -1.9600000E-02  -3.843900      -1.713200    
 H   0.7799000      -4.672100     -0.3598000    


%chk=000047760-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047760

0 1
S 2.059824 -2.447241 1.109509
O -1.881072 -0.324846 -0.274730
O 0.392096 -0.062778 1.540247
O 2.023480 -0.810415 -1.297569
O -1.219745 -1.070480 2.942221
O 0.537255 -2.111119 -2.561443
N 0.641378 -2.273287 2.208650
N 1.307214 -2.845294 -0.472181
C -2.968273 0.013806 -1.317504
C -3.489090 1.430511 -0.889628
C -2.397611 1.953489 0.034260
C -1.551326 0.870194 0.361921
C -4.012589 -1.100017 -1.210031
C -2.258188 0.041871 -2.681132
C -2.163241 3.223173 0.590007
C -0.483951 1.029055 1.264425
C -1.072243 3.393148 1.483120
C -0.241850 2.298679 1.824030
C 2.780893 1.993458 -0.618395
C 3.023650 1.291274 -1.972340
C 3.902661 2.988538 -0.247281
C -0.160125 -1.133724 2.278246
C 1.947531 0.265764 -2.329907
C 3.655541 3.682328 1.109952
C 1.217886 -1.914370 -1.518066
C 0.187006 -3.449894 2.988413
C 0.585218 -4.126744 -0.601610
H -4.451418 1.348792 -0.348173
H -3.652192 2.072000 -1.773673
H -4.847575 -0.908665 -1.908853
H -4.415802 -1.156949 -0.184449
H -3.564230 -2.075998 -1.464239
H -1.688047 -0.888497 -2.843176
H -1.552640 0.891245 -2.734541
H -2.999000 0.157831 -3.494140
H -2.812558 4.070597 0.344138
H -0.872217 4.375939 1.921765
H 0.596699 2.417877 2.517335
H 1.810528 2.531396 -0.651346
H 2.683109 1.225502 0.172352
H 3.054869 2.043614 -2.787756
H 4.009624 0.786076 -1.965720
H 3.997253 3.755860 -1.043801
H 4.872708 2.450873 -0.216398
H 2.107030 -0.190540 -3.323749
H 0.930924 0.700744 -2.295389
H 4.463211 4.396541 1.355341
H 3.600317 2.938041 1.926891
H 2.699547 4.239810 1.099054
H -0.754639 -3.860522 2.580131
H 0.005983 -3.155405 4.035732
H 0.975053 -4.216944 2.950384
H -0.389950 -4.088706 -0.080260
H 0.400099 -4.318216 -1.669947
H 1.199385 -4.936972 -0.174299


