%chk=000148490.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148490

0 1
 S    1.979800       1.981000      0.5320000    
 O    3.361000      -1.255000      0.5962000    
 O   -2.272800       2.078100     -0.6619000    
 O    6.658100      -2.351300     -0.3158000    
 O    5.251100      -1.331400       1.892700    
 N   -6.038200      -2.029700      0.1780000    
 N   -2.832600     -0.1946000      0.2121000    
 C   -5.126600     -0.9069000     -3.1000001E-03
 C   -3.716000      -1.295200      0.4212000    
 C  -0.5754000      0.8355000      0.3595000    
 C   -1.455300     -0.2462000      0.5403000    
 C   0.7658000      0.7052000      0.7285000    
 C   -5.890400      -2.995400     -0.9125000    
 C   -7.423500      -1.562200      0.2570000    
 C    1.206300     -0.5121000       1.275800    
 C   -1.124900       2.081600     -0.2249000    
 C   -1.004400      -1.447200       1.086100    
 C  -0.3364000       3.334900     -0.2883000    
 C   0.3277000      -1.580500       1.454600    
 C    1.022300       3.386000      3.3500001E-02
 C    2.627800     -0.7381000       1.696500    
 C   -6.787300      -4.203400     -0.7015000    
 C   -7.849600     -0.8869000      -1.035600    
 C   -1.000900       4.506700     -0.6914000    
 C    1.696700       4.616100     -5.3800002E-02
 C  -0.3192000       5.720100     -0.7716000    
 C    1.031200       5.775200     -0.4522000    
 C    4.690600      -1.518700      0.8178000    
 C    5.336400      -2.044400     -0.3860000    
 C    4.846200      -2.304700      -1.644600    
 C    5.936800      -2.803700      -2.395900    
 C    7.015800      -2.812900      -1.542900    
 H   -5.432800     -5.7500001E-02  0.6234000    
 H   -5.112300     -0.5415000      -1.038600    
 H   -3.366600      -2.151800     -0.1636000    
 H   -3.739600      -1.579400       1.481100    
 H   -3.200400      0.6611000     -0.1818000    
 H   -6.044100      -2.570600      -1.910800    
 H   -4.867500      -3.387600     -0.9164000    
 H   -8.116200      -2.368800      0.5194000    
 H   -7.517100     -0.8459000       1.083700    
 H   -1.638100      -2.312500       1.249100    
 H   0.6689000      -2.522900       1.875100    
 H    3.105200      0.1584000       2.105800    
 H    2.651800      -1.475100       2.511300    
 H   -6.699800      -4.600500      0.3158000    
 H   -6.491200      -5.004000      -1.388700    
 H   -7.839800      -3.987600     -0.9081000    
 H   -8.860100     -0.4825000     -0.8986000    
 H   -7.917300      -1.574500      -1.883100    
 H   -7.221800     -3.6200002E-02  -1.314400    
 H   -2.058200       4.497400     -0.9454000    
 H    2.755900       4.688500      0.1872000    
 H  -0.8431000       6.618900      -1.082600    
 H    1.568300       6.716900     -0.5136000    
 H    3.831600      -2.156400      -1.986600    
 H    5.936600      -3.117400      -3.429700    
 H    8.050900      -3.102500      -1.649700    


%chk=000148490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148490

0 1
S 2.098196 1.564923 0.539499
O 3.474354 -1.372578 0.774069
O -2.285839 1.937659 -0.634441
O 6.982043 -1.424881 -0.228311
O 5.357065 -0.820930 2.068158
N -6.277322 -1.955772 -0.002094
N -2.854527 -0.392270 0.235953
C -5.257153 -0.884523 -0.035150
C -3.884260 -1.416027 0.436899
C -0.585790 0.561911 0.388358
C -1.545768 -0.525835 0.621525
C 0.767478 0.350462 0.816426
C -6.273453 -2.794375 -1.228405
C -7.616629 -1.510648 0.460674
C 1.189859 -0.839205 1.467149
C -1.053296 1.806752 -0.244910
C -1.100096 -1.725085 1.259720
C -0.155398 2.978751 -0.451879
C 0.227074 -1.860724 1.668890
C 1.226872 2.996667 -0.137711
C 2.594963 -1.042859 1.957449
C -7.024354 -4.127752 -1.058173
C -8.397783 -0.564474 -0.492698
C -0.730299 4.159633 -1.006816
C 2.017157 4.150958 -0.371489
C 0.041776 5.307518 -1.239620
C 1.425178 5.302653 -0.920047
C 4.852542 -1.194207 0.982285
C 5.572821 -1.513382 -0.255792
C 5.155034 -1.903125 -1.525679
C 6.339875 -2.067389 -2.329126
C 7.421411 -1.769531 -1.509348
H -5.570066 -0.067590 0.641742
H -5.142761 -0.430734 -1.050461
H -3.630651 -2.341031 -0.122850
H -3.964451 -1.699903 1.505288
H -3.065878 0.517674 -0.230575
H -6.685677 -2.244152 -2.111377
H -5.216940 -3.015735 -1.471431
H -8.227509 -2.409555 0.663819
H -7.476243 -1.008066 1.436769
H -1.807973 -2.538676 1.432190
H 0.545073 -2.786612 2.163269
H 3.027434 -0.154358 2.453447
H 2.654083 -1.894981 2.656276
H -6.634181 -4.677338 -0.183337
H -6.890976 -4.756374 -1.957640
H -8.109908 -3.978956 -0.916383
H -9.355192 -0.263404 -0.028138
H -8.631902 -1.054575 -1.455238
H -7.822462 0.354870 -0.707832
H -1.797916 4.125197 -1.243039
H 3.083711 4.142075 -0.121591
H -0.420107 6.203853 -1.666095
H 2.037095 6.193730 -1.096906
H 4.119583 -2.045409 -1.825070
H 6.387487 -2.365179 -3.374364
H 8.497895 -1.751187 -1.655837


