%chk=000104286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104286

0 1
 S   -7.483300       1.144100      0.2927000    
 O    4.959800       1.842300      0.1965000    
 O   -7.731000       1.585800       1.847200    
 O   -6.736100       2.220900     -0.3406000    
 O   -8.753800      0.6990000     -0.2583000    
 N    3.154600     -0.6827000     -0.8183000    
 N   -2.424000      -1.088900     -0.7710000    
 N    3.583100     -0.5960000      0.3547000    
 N   -2.840100      -1.063600      0.4093000    
 C   0.9775000      0.4409000     -0.8790000    
 C  -0.4340000      0.3380000     -0.8672000    
 C    1.752000     -0.7287000     -0.8095000    
 C   -1.029400     -0.9313000     -0.7861000    
 C    1.573000       1.710100     -0.9605000    
 C   -1.208300       1.507600     -0.9370000    
 C    1.143400      -1.981500     -0.7294000    
 C  -0.2446000      -2.082700     -0.7178000    
 C   0.7881000       2.861500      -1.029200    
 C  -0.5998000       2.760600      -1.017400    
 C    4.987800     -0.5503000      0.3454000    
 C    5.652100      0.6707000      0.2669000    
 C    7.101600      -1.708800      0.4076000    
 C    5.707100      -1.740200      0.4160000    
 C    7.046600      0.7020000      0.2584000    
 C    7.771300     -0.4878000      0.3287000    
 C   -4.236600      -1.221200      0.4248000    
 C   -6.444900     -0.2573000      0.3743000    
 C   -5.058900     -0.1008000      0.3590000    
 C    7.876900      -2.980500      0.4837000    
 C   -4.786400      -2.496800      0.5061000    
 C   -7.001700      -1.533700      0.4556000    
 C   -6.172300      -2.653400      0.5217000    
 C    5.183000       2.790100       1.238400    
 C    3.927200       3.612500       1.434300    
 H    2.650800       1.832300     -0.9923000    
 H   -2.295000       1.472400     -0.9364000    
 H    1.743800      -2.886300     -0.6770000    
 H  -0.7065000      -3.064900     -0.6564000    
 H    1.261100       3.837000      -1.096300    
 H   -1.210100       3.657300      -1.073000    
 H    5.182400      -2.690600      0.4801000    
 H    7.582500       1.644700      0.1891000    
 H    8.857500     -0.4502000      0.3213000    
 H   -4.611900      0.8884000      0.3050000    
 H    8.841500      -2.887400     -2.6900001E-02
 H    7.336700      -3.801300     -9.9999997E-05
 H    8.058500      -3.247600       1.529500    
 H   -4.147600      -3.374400      0.5590000    
 H   -8.077800      -1.680300      0.4773000    
 H   -6.605600      -3.647200      0.5872000    
 H    5.435200       2.287500       2.180400    
 H    6.014400       3.443700      0.9527000    
 H    3.650900       4.122400      0.5055000    
 H    3.084600       2.969400       1.709000    
 H    4.068800       4.361300       2.218500    
 H   -6.921800       1.847400       2.346500    


%chk=000104286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104286

0 1
S -7.681201 0.833910 2.752141
O 4.931851 1.520146 2.354795
O -7.778529 -0.873452 3.481557
O -6.761454 1.750449 3.716469
O -9.176046 1.307407 2.352241
N 3.132218 -0.267195 -0.763406
N -2.560230 -0.394359 -0.851594
N 3.693259 0.296752 0.287717
N -3.201207 0.000832 0.227091
C 1.035367 -0.796147 -1.890664
C -0.412872 -0.833644 -1.912879
C 1.709749 -0.264515 -0.724180
C -1.146529 -0.339937 -0.763517
C 1.763297 -1.285245 -3.024391
C -1.075718 -1.358128 -3.069164
C 0.955404 0.209128 0.379446
C -0.447314 0.171162 0.359429
C 1.089364 -1.790624 -4.137700
C -0.339857 -1.826877 -4.159821
C 5.106998 0.275622 0.294238
C 5.751608 0.926676 1.404585
C 7.314095 -0.344924 -0.645022
C 5.910879 -0.346355 -0.707758
C 7.170496 0.931711 1.470257
C 7.928557 0.307384 0.463108
C -4.625364 -0.036911 0.103052
C -6.734061 0.322180 1.216628
C -5.336802 0.332036 1.276492
C 8.161284 -1.015251 -1.712092
C -5.345377 -0.397817 -1.073999
C -7.480501 -0.021901 0.078236
C -6.752547 -0.385023 -1.082523
C 5.569460 2.200301 3.507369
C 4.435251 2.742696 4.371145
H 2.854686 -1.248820 -2.986763
H -2.168141 -1.380180 -3.070637
H 1.503444 0.603312 1.240227
H -1.034054 0.537209 1.207142
H 1.654664 -2.162494 -4.999268
H -0.858260 -2.225582 -5.038854
H 5.384295 -0.832982 -1.534834
H 7.686375 1.419401 2.301434
H 9.023255 0.323014 0.535230
H -4.789746 0.621660 2.178788
H 8.855760 -0.296548 -2.186437
H 7.534279 -1.451733 -2.507613
H 8.776751 -1.829345 -1.284791
H -4.774908 -0.674772 -1.965163
H -8.574151 0.007787 0.093461
H -7.297706 -0.657573 -1.991971
H 6.190574 1.470431 4.065389
H 6.221682 3.016201 3.134953
H 3.816976 3.455280 3.799806
H 3.786000 1.922611 4.721050
H 4.848848 3.264433 5.253242
H -8.251850 -0.797902 4.361025


