%chk=000153786.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153786

0 1
 S    5.774200       1.183100     -0.8805000    
 O   0.5419000     -0.6712000       1.756200    
 O    2.704100      -1.406000       1.444000    
 O   0.3407000      -2.468600      -2.330100    
 O   0.7171000      -2.803400     -0.1935000    
 N   0.7336000      0.1105000     -0.8706000    
 N   -3.244500       1.109800     -1.0300000E-02
 N  -1.8800000E-02  -2.423500      -1.132000    
 C    1.789900      0.3677000      4.9400002E-02
 C  -0.6236000      0.4178000     -0.5813000    
 C    3.133300      0.4258000     -0.6900000    
 C   -1.612900     -0.5705000     -0.5611000    
 C  -0.9461000       1.752600     -0.3156000    
 C   -2.928600     -0.1743000     -0.2669000    
 C   -2.287800       2.057800     -3.0800000E-02
 C    4.231100       1.164900      7.9400003E-02
 C   -1.317300      -1.919400     -0.8243000    
 C    1.764700     -0.6796000       1.146300    
 C   2.7700000E-02   2.766300     -0.3291000    
 C   -3.918000      -1.153700     -0.2454000    
 C   -2.615100       3.384900      0.2345000    
 C   -2.324600      -2.879100     -0.7967000    
 C   -3.627600      -2.495100     -0.5064000    
 C  -0.3256000       4.085300     -6.0600001E-02
 C   -1.650000       4.394800      0.2218000    
 C   0.3810000      -1.603700       2.829900    
 C    6.318700     -0.5042000     -0.5306000    
 C   -1.017300      -1.469100       3.394400    
 H    1.694300       1.299000      0.6125000    
 H    2.983400      0.9428000      -1.648700    
 H    3.449800     -0.5947000     -0.9384000    
 H   0.9247000     -0.4071000      -1.720000    
 H    3.929600       2.205400      0.2409000    
 H    4.410300      0.7210000       1.063300    
 H    1.047800       2.625400     -0.6663000    
 H   -4.946700     -0.8780000     -2.0500001E-02
 H   -3.646400       3.653100      0.4570000    
 H   -2.115100      -3.927100     -0.9970000    
 H   -4.421300      -3.236000     -0.4817000    
 H   0.4223000       4.871500     -0.1001000    
 H   -1.937600       5.422000      0.4260000    
 H   0.5368000      -2.624900       2.467300    
 H    1.115300      -1.383500       3.612900    
 H    7.312300     -0.6523000     -0.9626000    
 H    5.643000      -1.236800     -0.9776000    
 H    6.386500     -0.6723000      0.5475000    
 H   -1.198200     -0.4451000       3.737200    
 H   -1.765800      -1.683100       2.624700    
 H   -1.168500      -2.155300       4.232300    


%chk=000153786-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153786

0 1
S 5.632470 1.846436 -0.697255
O 0.823820 -1.414426 1.745066
O 2.973130 -0.665743 2.221813
O 0.125303 -2.424664 -1.797334
O -0.667086 -3.953970 -0.311168
N 0.658094 -0.097556 -0.568776
N -3.280523 1.556649 -0.193788
N -0.734453 -2.799954 -0.888786
C 1.737851 0.351241 0.322382
C -0.640988 0.395718 -0.565356
C 3.086401 0.555739 -0.437341
C -1.812276 -0.460996 -0.543888
C -0.849230 1.828876 -0.572601
C -3.106608 0.205680 -0.328504
C -2.179354 2.357905 -0.337802
C 4.054469 1.507887 0.289258
C -1.871298 -1.912615 -0.566211
C 1.936265 -0.618202 1.518548
C 0.205400 2.760097 -0.863862
C -4.312314 -0.566536 -0.178350
C -2.374205 3.781589 -0.273185
C -3.060711 -2.631638 -0.369366
C -4.296579 -1.956299 -0.186342
C -0.019366 4.136411 -0.835387
C -1.315119 4.654840 -0.503917
C 0.916228 -2.355782 2.916298
C 6.526408 0.210203 -0.419895
C -0.446383 -3.021584 3.064238
H 1.439684 1.315851 0.776373
H 2.850448 0.966006 -1.435945
H 3.571703 -0.424582 -0.600974
H 0.786388 -1.026788 -0.992721
H 3.599461 2.506033 0.427968
H 4.342976 1.111375 1.275153
H 1.180950 2.381700 -1.181169
H -5.233430 0.007378 -0.042730
H -3.387238 4.136120 -0.060908
H -3.018161 -3.723605 -0.392687
H -5.218366 -2.532750 -0.066020
H 0.792069 4.826430 -1.090203
H -1.473282 5.738015 -0.466158
H 1.722229 -3.079330 2.699784
H 1.206864 -1.764370 3.802876
H 7.544887 0.342911 -0.816967
H 6.026873 -0.612026 -0.955519
H 6.575890 -0.008908 0.658661
H -1.233891 -2.272611 3.256253
H -0.709054 -3.590063 2.156169
H -0.419647 -3.722192 3.919074


