%chk=000033356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033356

1 1
 S   -1.800200      -2.302700       2.096700    
 O  -0.6275000      0.2005000       1.375900    
 O  -0.3071000      -1.936700      -1.265500    
 N    2.237200       2.955800       1.143000    
 N    1.142200     -0.2758000     -0.4779000    
 C    2.048100       1.451500       1.011200    
 C    1.306700       1.137800     -0.2750000    
 C   0.8776000       3.639600       1.148500    
 C    2.965000       3.263300       2.443700    
 C    3.058200       3.468800     -3.1300001E-02
 C   -1.309300     -0.3313000      0.2294000    
 C  -0.1295000     -0.9132000     -0.5911000    
 C    2.346200      -1.107600     -0.5738000    
 C   -2.137400      0.7478000     -0.4705000    
 C   -2.253000      -1.454400      0.7185000    
 C    2.252300      -2.396400     -0.1475000    
 C    3.468100     -0.5296000      -1.082300    
 C   -2.633800       1.788600      0.2808000    
 C   -2.354400      0.6376000      -1.825100    
 C   -3.404900      -1.822800      0.1486000    
 C    3.397200      -3.187900     -0.2390000    
 C    4.613000      -1.321300      -1.173800    
 C   -3.988300      -2.892600      0.8867000    
 C   -3.388600       2.772800     -0.3573000    
 C   -3.109100       1.621900      -2.463100    
 C   -3.219500      -3.252700       1.971400    
 C    4.577400      -2.650500     -0.7522000    
 C   -3.626300       2.689500      -1.729100    
 H    1.514000       1.112400       1.904000    
 H    3.048500       1.008900       1.051100    
 H   0.3284000       1.612300     -0.2991000    
 H    1.795000       1.530300      -1.170000    
 H   0.4419000       3.627100      0.1465000    
 H    1.026400       4.682400       1.447300    
 H   0.2319000       3.134900       1.873100    
 H    2.359900       2.889400       3.275000    
 H    3.094900       4.346600       2.525000    
 H    3.938300       2.764100       2.421700    
 H    3.346900       4.502400      0.1863000    
 H    2.460100       3.463200     -0.9453000    
 H    3.953000       2.848200     -0.1342000    
 H    1.364300      -2.831300      0.2965000    
 H    3.536300      0.4880000      -1.444300    
 H  -0.2272000     -0.5386000       1.865800    
 H   -2.468300       1.866700       1.350500    
 H   -1.969500     -0.1874000      -2.414600    
 H   -3.856900      -1.407400     -0.7411000    
 H    3.372800      -4.220000      9.8600000E-02
 H    5.531200     -0.9048000      -1.578000    
 H   -4.923400      -3.375300      0.6338000    
 H   -3.793100       3.603000      0.2143000    
 H   -3.296200       1.556200      -3.531000    
 H   -3.422800      -4.028500       2.695900    
 H    5.469200      -3.266400     -0.8222000    
 H   -4.214800       3.455300      -2.225800    


%chk=000033356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033356

1 1
S -1.956231 -2.468921 2.330968
O -0.851021 0.534806 1.696053
O -0.056150 -2.323735 -0.209047
N 2.159104 2.868719 1.603933
N 1.135702 -0.331652 -0.303362
C 2.007819 1.377771 1.209127
C 1.260401 1.126688 -0.120005
C 0.792250 3.558035 1.612404
C 2.748118 2.917535 3.013890
C 3.100897 3.592734 0.646283
C -1.291307 -0.314316 0.519690
C -0.017806 -1.082658 -0.006242
C 2.308544 -1.020553 -0.835097
C -1.860463 0.586967 -0.592809
C -2.345142 -1.279795 1.007538
C 2.938751 -2.041548 -0.086238
C 2.815238 -0.649054 -2.103087
C -2.439240 1.841746 -0.283173
C -1.867978 0.127972 -1.934634
C -3.679311 -1.382615 0.637718
C 4.084154 -2.682697 -0.606624
C 3.967789 -1.287174 -2.613054
C -4.417854 -2.372822 1.379438
C -3.002951 2.638559 -1.306110
C -2.430908 0.925702 -2.954987
C -3.656936 -3.027195 2.333277
C 4.606231 -2.303286 -1.865259
C -2.997247 2.184741 -2.645491
H 1.424366 0.899488 2.012264
H 3.027726 0.956451 1.172053
H 0.260864 1.580853 -0.100283
H 1.815014 1.540195 -0.980608
H 0.461751 3.730676 0.578182
H 0.886052 4.520674 2.138294
H 0.069734 2.897904 2.115623
H 2.031148 2.463866 3.714435
H 2.934943 3.965918 3.294200
H 3.691840 2.351254 3.029043
H 3.189821 4.645008 0.958176
H 2.694787 3.543970 -0.373903
H 4.088061 3.106727 0.677651
H 2.516810 -2.352761 0.874295
H 2.294126 0.105020 -2.705044
H -1.412112 0.246158 2.463404
H -2.458052 2.181788 0.757672
H -1.455493 -0.858341 -2.178134
H -4.122703 -0.768928 -0.149026
H 4.563770 -3.482645 -0.033086
H 4.352542 -1.006458 -3.599069
H -5.474630 -2.589707 1.210539
H -3.460607 3.602195 -1.056568
H -2.437223 0.560743 -3.987470
H -3.949026 -3.815621 3.024999
H 5.492732 -2.805403 -2.265978
H -3.439596 2.798724 -3.437057


