%chk=000049047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049047

0 1
 S   -5.615000     -0.4701000      0.8870000    
 O    1.004900     -0.6833000      0.1713000    
 O   0.5894000      -2.782000     -0.6784000    
 N    4.568900      0.2543000      0.2473000    
 C    5.291100       1.123500       1.186900    
 C    4.945600      0.5458000      -1.143000    
 C    6.804400      0.9508000       1.046800    
 C    6.447600      0.3544000      -1.359300    
 C    7.260500       1.200700     -0.3861000    
 C    3.124200      0.3961000      0.4262000    
 C    2.400300     -0.8583000     -3.6200002E-02
 C   0.2102000      -1.726700     -0.1949000    
 C   -1.217900      -1.419000      7.0400000E-02
 C   -5.322600       1.557400      -1.011200    
 C   -5.482700       2.679300      1.8300001E-02
 C   -6.122600      0.2985000     -0.6770000    
 C   -3.900900     -0.8405000      0.5693000    
 C   -2.212800      -1.978300     -0.7314000    
 C   -1.564600     -0.5705000       1.121800    
 C   -3.554400      -1.689100     -0.4821000    
 C   -2.906100     -0.2811000       1.371300    
 C   -4.747600       3.938000     -0.4170000    
 H    5.018200      0.8679000       2.218100    
 H    5.022700       2.176500       1.028700    
 H    4.667400       1.572500      -1.416300    
 H    4.426400     -0.1248000      -1.836000    
 H    7.320100       1.640800       1.724300    
 H    7.087800     -6.5600000E-02   1.348500    
 H    6.705900     -0.7041000      -1.227500    
 H    6.710500      0.6215000      -2.389100    
 H    7.134300       2.262500     -0.6307000    
 H    8.326800      0.9709000     -0.4873000    
 H    2.725300       1.289100     -7.3100001E-02
 H    2.877500      0.5279000       1.488900    
 H    2.745300      -1.727100      0.5382000    
 H    2.572900      -1.046500      -1.101300    
 H   -5.675200       1.924800      -1.983800    
 H   -4.260600       1.323700      -1.149400    
 H   -5.091100       2.374600      0.9941000    
 H   -6.545400       2.912900      0.1512000    
 H   -6.028700     -0.4298000      -1.489100    
 H   -7.186200      0.5473000     -0.5960000    
 H   -1.958800      -2.640200      -1.555200    
 H  -0.8112000     -0.1300000       1.769400    
 H   -4.312400      -2.142400      -1.115700    
 H   -3.157600      0.3815000       2.195900    
 H   -5.133800       4.308200      -1.372000    
 H   -4.874600       4.728400      0.3295000    
 H   -3.675700       3.746400     -0.5299000    


%chk=000049047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049047

0 1
S -5.173371 0.528978 1.577636
O 1.452466 -0.357077 0.250208
O 0.657005 -1.344652 -1.707413
N 5.183131 -0.055544 0.320605
C 6.159997 -0.048021 1.439525
C 5.551577 0.932508 -0.726961
C 7.578596 -0.379356 0.931886
C 6.949847 0.633931 -1.304104
C 8.008942 0.606382 -0.178852
C 3.777000 0.082658 0.767193
C 2.841139 -0.641950 -0.208727
C 0.428285 -0.770480 -0.611585
C -0.920180 -0.446409 -0.077401
C -6.478300 1.102388 -0.937834
C -7.054156 2.470028 -0.507757
C -6.401782 0.074677 0.206026
C -3.543982 0.131438 0.849318
C -2.053678 -0.799293 -0.853246
C -1.112810 0.202013 1.172164
C -3.355005 -0.513456 -0.399657
C -2.410311 0.489716 1.629536
C -7.116403 3.476906 -1.676043
H 5.839881 -0.798688 2.185943
H 6.181784 0.949496 1.955093
H 5.541054 1.974652 -0.308110
H 4.797086 0.898972 -1.533928
H 8.289017 -0.348190 1.780468
H 7.577846 -1.410990 0.529968
H 6.921924 -0.348830 -1.812769
H 7.205147 1.398851 -2.062553
H 8.114025 1.623895 0.252429
H 8.998971 0.324223 -0.584191
H 3.457182 1.149017 0.860971
H 3.671133 -0.375621 1.767404
H 3.011451 -1.732261 -0.195758
H 2.952526 -0.287254 -1.248457
H -7.120578 0.673141 -1.736326
H -5.476206 1.248641 -1.385664
H -6.432028 2.881989 0.310453
H -8.070545 2.321118 -0.088709
H -6.149132 -0.939869 -0.146976
H -7.362872 0.011951 0.747200
H -1.893910 -1.299187 -1.814488
H -0.241119 0.475902 1.772660
H -4.207864 -0.800872 -1.021122
H -2.550546 0.991719 2.593255
H -7.750112 3.096420 -2.499548
H -7.534689 4.446046 -1.348667
H -6.107733 3.667145 -2.088693


