%chk=000154953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154953

0 1
 S   -5.559500      0.1959000       1.307100    
 O   -1.532300     -0.7566000      -2.971400    
 O   -6.788500     -0.2817000       1.913000    
 O   -4.642600       1.029100       2.059300    
 N   0.5643000     -0.4074000      -1.127400    
 N    4.141500      0.1701000      0.9796000    
 N   -4.738900      -1.147700      0.6089000    
 C    1.777200     -0.2114000     -0.4127000    
 C    2.191300       1.085300     -9.1700003E-02
 C    2.546600      -1.317200     -3.6800001E-02
 C    3.396700       1.231800      0.6152000    
 C    3.738100      -1.076700      0.6680000    
 C    1.438000       2.214600     -0.4570000    
 C  -0.7589000     -0.5929000     -0.7061000    
 C    1.877400       3.492100     -0.1227000    
 C    3.814300       2.520400      0.9375000    
 C    2.154700      -2.631400     -0.3460000    
 C   -1.793700     -0.7662000      -1.633600    
 C    3.068200       3.644800      0.5761000    
 C    4.508500      -2.173500       1.045100    
 C   -1.057400     -0.6057000      0.6619000    
 C   -3.395000     -0.9608000      0.1650000    
 C   -3.106500     -0.9495000      -1.199700    
 C    2.942800      -3.710600      4.2399999E-02
 C   -2.370300     -0.7890000       1.095800    
 C    4.122000      -3.480900      0.7395000    
 C    1.076700       4.688200     -0.5100000    
 C   -6.020300       1.082300     -0.1648000    
 C   -1.594200      0.5044000      -3.634100    
 H   0.7024000     -0.4470000      -2.132900    
 H   0.5043000       2.118900      -1.006200    
 H    4.743600       2.666100       1.485100    
 H    1.241100      -2.846500     -0.8941000    
 H    3.430600       4.632000      0.8501000    
 H    5.437000      -2.019600       1.592100    
 H  -0.2807000     -0.4771000       1.411200    
 H   -3.902700      -1.082300      -1.928600    
 H   -2.577200     -0.8081000       2.162600    
 H    2.638600      -4.724500     -0.1987000    
 H    4.744400      -4.316000       1.047000    
 H    1.703000       5.584400     -0.5749000    
 H   0.6150000       4.548200      -1.493400    
 H   0.2883000       4.867600      0.2278000    
 H   -5.309200      -1.728100     -2.0900000E-02
 H   -6.614000      0.4265000     -0.8043000    
 H   -6.619700       1.944300      0.1368000    
 H   -5.119900       1.424000     -0.6777000    
 H  -0.8829000       1.211100      -3.195300    
 H   -2.608200      0.9132000      -3.582600    
 H   -1.331800      0.3523000      -4.684600    


%chk=000154953-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154953

0 1
S -4.800217 1.781052 1.362119
O -1.070992 -1.886185 -2.981222
O -4.600376 1.084145 2.837217
O -3.225909 1.287477 0.326046
N 0.456620 -0.867954 -1.150020
N 3.907246 0.608872 0.966165
N -5.106295 -1.022014 -0.273638
C 1.551315 -0.354168 -0.412908
C 1.631515 1.011653 0.011241
C 2.660853 -1.228760 -0.160273
C 2.833470 1.426297 0.730997
C 3.833370 -0.683053 0.514145
C 0.630550 2.003139 -0.280252
C -0.915788 -0.803507 -0.854674
C 0.749593 3.321414 0.160806
C 2.925715 2.788412 1.189331
C 2.665418 -2.621905 -0.520819
C -1.797249 -1.390908 -1.895948
C 1.916336 3.702240 0.921783
C 4.969928 -1.536286 0.739623
C -1.480227 -0.303828 0.295958
C -3.819204 -0.937841 -0.557868
C -3.165404 -1.455163 -1.760929
C 3.781766 -3.420839 -0.280004
C -2.963602 -0.185355 0.466764
C 4.951966 -2.870325 0.344476
C -0.315332 4.355993 -0.148249
C -4.040435 3.520544 1.585639
C -1.809163 -2.513785 -4.083932
H 0.682314 -1.490437 -1.931011
H -0.252866 1.716317 -0.855870
H 3.828716 3.063044 1.743027
H 1.768777 -3.073136 -0.960466
H 2.002666 4.736064 1.278478
H 5.835037 -1.087801 1.237513
H -0.860714 0.107549 1.096062
H -3.796131 -1.901392 -2.537573
H -3.278950 -0.479155 1.489073
H 3.764070 -4.481584 -0.553549
H 5.822275 -3.511321 0.522590
H 0.079608 5.152559 -0.808186
H -1.187474 3.898263 -0.644310
H -0.668446 4.851281 0.776628
H -5.654825 -1.490204 -1.028244
H -4.741911 4.106313 2.199071
H -3.082784 3.358266 2.098290
H -3.897984 3.960657 0.587977
H -2.501959 -1.788134 -4.548310
H -2.370631 -3.396628 -3.725164
H -1.042056 -2.820684 -4.808699


