%chk=000117532.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117532

0 1
 S    1.070300      -3.870000      0.1943000    
 O  -0.7331000       2.625200      0.3698000    
 O   -3.839200      -1.665800     -0.3252000    
 O   0.9711000      -4.386100      -1.352000    
 O    2.480000      -3.681600      0.4938000    
 O   0.2407000      -4.733300       1.016700    
 N    1.438300       1.192200      0.5777000    
 N   -1.845500      -3.307500     -0.1640000    
 C  -0.8248000      0.2624000      0.2069000    
 C   -1.635900     -0.8596000      2.4200000E-02
 C   0.5550000      0.1053000      0.3840000    
 C   -1.066900      -2.138800      1.8100001E-02
 C   0.3087000      -2.290900      0.1948000    
 C   -2.869200       1.769300      2.7200000E-02
 C   -3.680300      0.6471000     -0.1552000    
 C   -1.411900       1.617900      0.2147000    
 C   -3.093200     -0.7083000     -0.1633000    
 C    1.117900      -1.171300      0.3775000    
 C   -3.438100       3.048500      3.2600001E-02
 C   -5.060200      0.8043000     -0.3322000    
 C    2.792400       1.386000      0.2524000    
 C   -4.813600       3.200500     -0.1442000    
 C   -5.623000       2.080900     -0.3264000    
 C    3.591700       2.216200       1.042200    
 C    3.344600      0.7507000     -0.8626000    
 C    5.482900       1.773400     -0.3948000    
 C    4.934800       2.409600      0.7190000    
 C    4.687800      0.9440000      -1.185600    
 C    6.918900       1.979700     -0.7404000    
 H    2.182900      -1.295100      0.5476000    
 H    1.026300       1.966600       1.089500    
 H   -2.831000       3.938900      0.1723000    
 H   -5.715100     -5.0900001E-02 -0.4762000    
 H   -1.419900      -4.222600     -0.1964000    
 H   -2.844700      -3.240400     -0.2956000    
 H   -5.254300       4.193300     -0.1399000    
 H   -6.693600       2.202200     -0.4638000    
 H    3.177200       2.716900       1.913600    
 H    2.744700      0.1194000      -1.512600    
 H    5.544500       3.056700       1.344000    
 H    5.102400      0.4460000      -2.058100    
 H    1.441700      -3.828300      -2.015300    
 H    7.077900       1.915100      -1.822200    
 H    7.263200       2.970500     -0.4250000    
 H    7.536200       1.221200     -0.2490000    


%chk=000117532-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117532

0 1
S 1.185122 -3.861108 0.053885
O -0.751289 2.746559 0.277581
O -3.978823 -1.726004 -0.131272
O 1.343944 -3.957350 -1.797235
O 2.657962 -3.708155 0.695933
O 0.215796 -5.077338 0.534545
N 1.368382 1.321610 0.190545
N -1.928152 -3.285958 -0.076882
C -0.882264 0.335369 0.085091
C -1.724957 -0.834303 0.013712
C 0.556859 0.203789 0.124720
C -1.153811 -2.165257 -0.010935
C 0.283059 -2.217523 0.074500
C -2.952082 1.814803 0.066404
C -3.781263 0.661426 -0.028095
C -1.482660 1.679151 0.146402
C -3.192126 -0.699639 -0.049884
C 1.114197 -1.114768 0.136315
C -3.540705 3.106347 0.091210
C -5.190094 0.812369 -0.098557
C 2.778144 1.404267 0.030561
C -4.938258 3.247063 0.018483
C -5.765847 2.096025 -0.076690
C 3.475164 2.390380 0.779238
C 3.504187 0.610280 -0.898332
C 5.607267 1.748884 -0.281882
C 4.864115 2.557559 0.618177
C 4.896183 0.782484 -1.038982
C 7.110624 1.904813 -0.418708
H 2.193356 -1.258115 0.246596
H 0.805267 2.201548 0.316224
H -2.878615 3.973836 0.167398
H -5.802066 -0.091656 -0.168736
H -1.503551 -4.215181 0.021432
H -2.950464 -3.113495 -0.122865
H -5.390017 4.244594 0.035599
H -6.853841 2.208916 -0.131953
H 2.921540 3.014088 1.490067
H 2.982251 -0.102488 -1.544920
H 5.382233 3.323638 1.207272
H 5.436499 0.163224 -1.764879
H 1.764399 -4.839554 -2.019210
H 7.459328 1.612716 -1.424727
H 7.429259 2.946153 -0.235744
H 7.644349 1.265501 0.311503


