%chk=000023803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023803

0 1
 S    1.424800      -3.071500      -1.616900    
 O   0.1695000      -2.593500       2.794400    
 N  -0.8387000      0.3948000      0.8358000    
 C  -0.9767000     -0.7975000       1.669100    
 C   0.3854000      -1.487000       1.898800    
 C   2.4100000E-02   1.379100       1.488700    
 C   -2.150600      0.9757000      0.5510000    
 C    1.029200      -1.909400      0.6294000    
 C    2.319200      -1.456000      0.1930000    
 C   0.2378000       2.596200      0.6284000    
 C   -3.066900     -1.1200000E-02 -0.1225000    
 C    2.664300      -2.021800      -1.038400    
 C   0.4415000      -2.782500     -0.2549000    
 C    3.237400     -0.5669000      0.8019000    
 C    1.304800       2.627000     -0.2587000    
 C   -3.084900     -9.1399997E-02  -1.508000    
 C  -0.6353000       3.669700      0.7341000    
 C   -3.880100     -0.8272000      0.6516000    
 C    3.889000      -1.724800      -1.667900    
 C    4.453000     -0.2698000      0.1797000    
 C    4.773500     -0.8443000      -1.042000    
 C    1.502800       3.754300      -1.056000    
 C   -3.933500      -1.005700      -2.132100    
 C  -0.4374000       4.797000     -6.3199997E-02
 C   -4.728600      -1.741600      2.7400000E-02
 C   0.6317000       4.839200     -0.9583000    
 C   -4.755200      -1.830900      -1.364500    
 H   -1.431500     -0.5620000       2.641600    
 H   -1.608500      -1.564600       1.214600    
 H    1.039400     -0.8340000       2.479200    
 H    1.020300      0.9971000       1.711600    
 H  -0.3909000       1.687200       2.459200    
 H   -2.084100       1.819600     -0.1423000    
 H   -2.633400       1.356100       1.462300    
 H  -0.5187000      -3.272300     -0.1704000    
 H    1.036900      -2.996400       2.972300    
 H    3.027100     -0.1117000       1.765400    
 H    1.986000       1.788600     -0.3523000    
 H   -2.446700      0.5434000      -2.116300    
 H   -1.463000       3.659400       1.437700    
 H   -3.883700     -0.7582000       1.735800    
 H    4.148200      -2.169600      -2.624600    
 H    5.150500      0.4118000      0.6583000    
 H    5.721400     -0.6080000      -1.517700    
 H    2.334100       3.786500      -1.754200    
 H   -3.953600      -1.076000      -3.215700    
 H   -1.113600       5.643400      1.5200000E-02
 H   -5.371200      -2.381600      0.6248000    
 H   0.7859000       5.717100      -1.578900    
 H   -5.416200      -2.542600      -1.850500    


%chk=000023803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023803

0 1
S 1.064146 -3.973299 -0.828697
O 0.438408 -2.202433 3.440254
N -0.868480 0.585222 1.338797
C -0.841823 -0.609168 2.216298
C 0.550180 -1.287205 2.281563
C -0.336263 1.792102 2.019774
C -2.211220 0.838877 0.749331
C 0.942225 -2.040647 1.021996
C 1.901779 -1.566042 0.028084
C 0.008826 2.939076 1.072768
C -2.659286 -0.224215 -0.246947
C 2.090407 -2.492416 -1.048570
C 0.427016 -3.282599 0.708785
C 2.642831 -0.351384 0.005038
C 0.526961 2.690269 -0.223395
C -1.750605 -0.772029 -1.187804
C -0.139032 4.281273 1.503052
C -4.012744 -0.642596 -0.281678
C 2.977239 -2.242257 -2.115012
C 3.532278 -0.092889 -1.054002
C 3.700451 -1.030621 -2.110343
C 0.891632 3.761343 -1.068377
C -2.188828 -1.712363 -2.145320
C 0.231795 5.355246 0.661905
C -4.456340 -1.579440 -1.243520
C 0.749442 5.098510 -0.628665
C -3.544241 -2.117371 -2.180169
H -1.135940 -0.365987 3.265045
H -1.564284 -1.349212 1.833966
H 1.326460 -0.521180 2.494084
H 0.580700 1.489507 2.563339
H -1.043808 2.168483 2.802697
H -2.150209 1.815066 0.230359
H -2.991954 0.952511 1.543552
H -0.306062 -3.857626 1.272435
H 1.219567 -2.812255 3.430754
H 2.516136 0.385897 0.804525
H 0.625584 1.653033 -0.560364
H -0.699973 -0.466318 -1.148707
H -0.549541 4.487480 2.499984
H -4.723647 -0.233039 0.447435
H 3.106524 -2.965916 -2.926339
H 4.099061 0.844324 -1.067039
H 4.396153 -0.812391 -2.927739
H 1.284292 3.552555 -2.070269
H -1.472234 -2.132692 -2.860108
H 0.110167 6.387695 1.009148
H -5.506854 -1.892038 -1.257851
H 1.031477 5.929594 -1.284963
H -3.883570 -2.847234 -2.924091


