%chk=000004105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004105

0 1
 S    2.671900       3.834800      -1.468700    
 O  -0.3745000     -0.4879000      -1.667300    
 O  -0.6065000       1.687300       1.633900    
 O   -1.091500      -4.474100     -0.3540000    
 O    1.003400      -5.065800     -0.9635000    
 N   -1.926000       1.240600     -0.2230000    
 N  -0.4933000      -1.970300      0.1162000    
 N   -1.834100       4.339800       1.149900    
 C   -3.414700     -0.6947000     -0.5929000    
 C   -2.102400     -0.1704000      4.0000002E-03
 C   -4.688600     -1.1700000E-02 -5.4800000E-02
 C  -0.9122000     -0.8801000     -0.6338000    
 C   -4.783700     -0.2167000       1.459700    
 C   -5.958700     -0.5359000     -0.7262000    
 C   0.6458000      -2.785800     -0.2389000    
 C   -1.172800       3.515300      0.1406000    
 C   -1.185300       2.065600      0.6173000    
 C    1.694100      -2.789400      0.8814000    
 C   0.2539000       4.009300     -0.1561000    
 C    2.532900      -1.534300      0.9072000    
 C   0.9986000       3.175900      -1.202600    
 C   0.2216000      -4.211900     -0.5582000    
 C    3.716600      -1.471400      0.1718000    
 C    2.124100     -0.4375000       1.665900    
 C    4.491600     -0.3120000      0.1953000    
 C    2.899200      0.7221000       1.689300    
 C    4.082900      0.7848000      0.9539000    
 C    3.208000       2.674700      -2.746400    
 H   -2.072100     -0.3485000       1.084500    
 H   -3.480000      -1.777900     -0.4232000    
 H   -3.388900     -0.5659000      -1.683900    
 H   -4.633400       1.065500     -0.2544000    
 H   -2.308500       1.626500      -1.081200    
 H   -4.730700      -1.278300       1.724200    
 H   -5.731800      0.1766000       1.843100    
 H   -3.986500      0.3121000       1.990500    
 H   -6.088800      -1.608300     -0.5453000    
 H   -6.845100     -1.6500000E-02 -0.3472000    
 H   -5.915100     -0.3784000      -1.808900    
 H    1.078600      -2.394300      -1.167800    
 H   -1.753200       3.605300     -0.7857000    
 H   -1.029700      -2.244700      0.9342000    
 H    2.371100      -3.647500      0.7735000    
 H    1.213100      -2.930100       1.859100    
 H   0.2015000       5.053800     -0.4920000    
 H   0.8315000       4.005800      0.7789000    
 H   0.4506000       3.194800      -2.150200    
 H    1.088800       2.136300     -0.8734000    
 H   -2.812000       4.063200       1.230300    
 H   -1.837600       5.313400      0.8485000    
 H    4.044000      -2.318200     -0.4255000    
 H    1.205500     -0.4753000       2.244800    
 H    5.412300     -0.2621000     -0.3787000    
 H    2.580000       1.576900       2.278300    
 H   -1.317800      -5.404000     -0.5694000    
 H    4.685400       1.688200      0.9710000    
 H    3.180500       1.649800      -2.367300    
 H    2.568600       2.757700      -3.629100    
 H    4.235100       2.909200      -3.038100    


%chk=000004105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004105

0 1
S 2.786355 3.884440 -1.091361
O -0.075939 -0.510472 -1.685646
O -1.990972 2.259664 1.590032
O -1.140982 -4.673585 0.060013
O 0.595785 -5.311865 -1.350332
N -1.724561 1.319498 -0.521520
N -0.480229 -2.088985 -0.015077
N -2.235650 4.745627 0.438686
C -3.257995 -0.673806 -0.501743
C -1.886515 -0.067528 -0.071827
C -4.493525 0.030504 0.117411
C -0.726790 -0.896600 -0.664809
C -4.539037 -0.119656 1.656899
C -5.783598 -0.525719 -0.531000
C 0.567231 -3.018007 -0.435800
C -1.397266 3.763468 -0.261231
C -1.731939 2.386422 0.348905
C 1.749228 -3.103307 0.604110
C 0.141989 4.058312 -0.145861
C 2.444712 -1.765702 0.782424
C 1.019806 3.190094 -1.063423
C 0.036735 -4.431148 -0.667466
C 3.539488 -1.409184 -0.045559
C 1.991421 -0.832696 1.749664
C 4.158674 -0.146255 0.082068
C 2.602516 0.435285 1.873867
C 3.687132 0.785293 1.037123
C 3.503747 2.737766 -2.401231
H -1.817472 -0.051865 1.031836
H -3.278831 -1.748451 -0.223457
H -3.321726 -0.630870 -1.608083
H -4.423855 1.111380 -0.120259
H -1.385680 1.438918 -1.481705
H -4.527966 -1.188870 1.949917
H -5.466341 0.327202 2.060296
H -3.691401 0.397562 2.139942
H -5.899302 -1.606507 -0.317305
H -6.676710 -0.008246 -0.135396
H -5.774972 -0.395720 -1.629615
H 0.968345 -2.641022 -1.393060
H -1.657335 3.752570 -1.340802
H -1.077418 -2.369837 0.765412
H 2.455660 -3.868560 0.233372
H 1.336645 -3.465039 1.565521
H 0.283454 5.123620 -0.418670
H 0.448579 3.945598 0.911474
H 0.646471 3.215484 -2.105399
H 1.074126 2.140733 -0.727924
H -2.393689 4.487346 1.419833
H -1.952109 5.719771 0.306340
H 3.907659 -2.123312 -0.793179
H 1.157792 -1.097937 2.411933
H 5.009341 0.111746 -0.559221
H 2.233637 1.148247 2.619606
H -1.430268 -5.615778 -0.077552
H 4.147795 1.775020 1.118286
H 3.419195 1.689806 -2.072336
H 2.977712 2.880089 -3.359078
H 4.564543 3.010463 -2.518442


