%chk=000047757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047757

0 1
 S    2.841600     -0.8109000      -1.511000    
 O   -2.069000      0.1673000     -0.9962000    
 O   0.4313000     -0.7042000      9.2299998E-02
 O  -0.1875000      -2.903900     -0.2748000    
 O    2.523100       1.736100     -0.2751000    
 O    3.593900       1.255700       1.687000    
 N    1.760200      -2.117400      -1.264900    
 N    3.408400     -0.3777000      4.8000000E-02
 C   -3.504800      0.3757000      -1.131200    
 C   -4.115200      0.5648000      0.2772000    
 C   -3.001200      6.0199998E-02   1.111200    
 C   -1.873200     -0.1197000      0.3290000    
 C   -3.711200       1.621000      -1.994700    
 C   -4.088500     -0.8535000      -1.839300    
 C   -2.965400     -0.1791000       2.473400    
 C  -0.6715000     -0.5414000      0.8652000    
 C   -1.763400     -0.6149000       3.036700    
 C  -0.6229000     -0.7942000       2.237300    
 C   0.6126000      -1.990300     -0.4755000    
 C    2.106200      -3.367000      -1.925900    
 C    1.519700       3.838400     -0.8630000    
 C    2.280200       3.064100      0.2025000    
 C   0.1799000       3.198100      -1.178300    
 C    3.205000      0.9021000      0.5746000    
 C    4.111800      -1.409200      0.7957000    
 H   -4.301000       1.619100      0.5092000    
 H   -5.038800     -4.6999999E-03  0.4175000    
 H   -3.243500       1.495900      -2.977900    
 H   -4.774200       1.838900      -2.138800    
 H   -3.234400       2.495300      -1.536900    
 H   -3.602000      -1.010600      -2.808800    
 H   -3.914700      -1.764800      -1.255900    
 H   -5.165900     -0.7480000      -2.003300    
 H   -3.842600     -2.9200001E-02   3.093400    
 H   -1.707400     -0.8115000       4.103900    
 H   0.3033000      -1.128100       2.698300    
 H    2.112100       3.874800      -1.784700    
 H    1.363700       4.868800     -0.5256000    
 H    2.144700      -3.206000      -3.007800    
 H    1.363600      -4.140900      -1.713700    
 H    3.081200      -3.709400      -1.565400    
 H    1.696600       3.019100       1.129400    
 H    3.237800       3.558200      0.4015000    
 H   0.3021000       2.192500      -1.593000    
 H  -0.4428000       3.125400     -0.2808000    
 H  -0.3613000       3.798700      -1.916400    
 H    4.902400      -1.842600      0.1752000    
 H    4.566500     -0.9935000       1.699200    
 H    3.402200      -2.187100       1.093400    


%chk=000047757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047757

0 1
S 2.794535 -0.589528 -1.802291
O -2.167463 -0.059775 -1.196929
O 0.508169 -0.529482 -0.030354
O -0.401110 -2.657817 -0.510569
O 2.711514 1.674561 0.019731
O 3.603816 0.579679 1.889893
N 1.602540 -1.923730 -1.495223
N 3.625750 -0.431985 -0.228749
C -3.700630 0.007479 -1.327075
C -4.174639 0.665904 0.014874
C -2.985057 0.475582 0.945483
C -1.881925 0.064957 0.161563
C -3.984879 0.846306 -2.575000
C -4.173997 -1.450246 -1.457349
C -2.835162 0.681188 2.327512
C -0.626726 -0.168823 0.750898
C -1.562976 0.466480 2.921094
C -0.465099 0.042240 2.135959
C 0.477429 -1.783245 -0.686405
C 1.873675 -3.231023 -2.130546
C 1.577469 3.816036 -0.007844
C 2.254742 2.789656 0.901640
C 0.292355 3.281924 -0.675532
C 3.306043 0.605558 0.665428
C 4.416041 -1.576908 0.266371
H -4.395346 1.741348 -0.130209
H -5.093651 0.180818 0.388690
H -3.551226 0.368418 -3.470309
H -5.075246 0.945992 -2.727425
H -3.549616 1.855554 -2.474526
H -3.696416 -1.930271 -2.328111
H -3.901929 -2.029409 -0.557660
H -5.271657 -1.489892 -1.587278
H -3.683628 1.004044 2.940722
H -1.426609 0.619760 3.996320
H 0.518689 -0.137067 2.583113
H 2.302091 4.140877 -0.778827
H 1.345811 4.706711 0.610503
H 1.989782 -3.115079 -3.221577
H 1.015093 -3.890888 -1.928803
H 2.791563 -3.685653 -1.716641
H 1.557751 2.377226 1.654660
H 3.137666 3.203362 1.422308
H 0.508402 2.372722 -1.262359
H -0.468351 3.019084 0.083303
H -0.145194 4.039373 -1.351058
H 5.104772 -1.912846 -0.526507
H 4.988211 -1.251208 1.148777
H 3.762324 -2.417563 0.568517


