%chk=000001842.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001842

0 1
 S   -3.757300     -0.4765000      -1.533100    
 O    1.243800     -0.4373000     -0.9032000    
 O  -0.2678000       2.134900     -0.4555000    
 O   -2.393100     -0.3251000     -0.6442000    
 O   -3.879800      -1.849800      -1.981400    
 O   -3.805200      0.6325000      -2.467300    
 N    3.396800     -0.1971000      5.5199999E-02
 N    4.747300      -1.841100      0.7322000    
 N    5.037700       1.554400     -0.3236000    
 N    7.297500      0.7793000      0.1752000    
 N    7.754900      -1.443200      0.9356000    
 C  -7.9999998E-04   1.064600      0.4428000    
 C  -3.6200002E-02 -0.2883000     -0.2581000    
 C    2.163800      0.4946000     -0.3036000    
 C    1.446400       1.147200      0.8740000    
 C   -1.136900     -0.4713000      -1.286400    
 C    4.664900      0.3157000      3.1599998E-02
 C    3.501100      -1.496100      0.4839000    
 C    5.485400     -0.7182000      0.4537000    
 C    6.849300     -0.4521000      0.5194000    
 C   -5.061400     -0.2276000     -0.3699000    
 C    6.377400       1.692600     -0.2192000    
 C   -5.542500       1.053600     -0.1551000    
 C   -5.582300      -1.317000      0.3093000    
 C   -6.572800       1.251100      0.7643000    
 C   -6.612600      -1.119500       1.228600    
 C   -7.107800      0.1646000       1.456000    
 C   -8.209800      0.3753000       2.438700    
 H  -0.7089000       1.126500       1.274300    
 H  -0.1054000      -1.078200      0.5012000    
 H    2.413300       1.233800      -1.073700    
 H    1.806800       2.165600       1.049300    
 H    1.595400      0.5658000       1.792100    
 H   -1.064400      -1.469100      -1.734800    
 H   -1.040700      0.2543000      -2.102300    
 H  -0.1764000       2.964600      4.3400001E-02
 H    2.640800      -2.140800      0.6019000    
 H    6.771500       2.667000     -0.4873000    
 H   -5.134200       1.913700     -0.6767000    
 H   -5.205300      -2.323200      0.1544000    
 H    7.423100      -2.363100       1.192000    
 H    8.741400      -1.225800      0.9740000    
 H   -6.947800       2.256600      0.9356000    
 H   -7.018900      -1.973400       1.764300    
 H   -8.867400     -0.4992000       2.488400    
 H   -7.794700      0.5593000       3.434600    
 H   -8.834100       1.229500       2.155400    


%chk=000001842-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001842

0 1
S -3.928754 -0.648765 -1.708303
O 1.137474 -0.326239 -1.145867
O 0.021558 2.503908 -1.107197
O -2.503839 0.322160 -0.972127
O -3.463426 -2.202662 -1.768878
O -4.461178 0.094774 -3.042867
N 3.336596 -0.298841 -0.232428
N 4.625934 -2.152617 0.178896
N 4.943771 1.477176 0.446146
N 7.081576 0.527049 1.214953
N 7.507992 -1.797450 1.285409
C 0.142996 1.550605 0.005328
C -0.154627 0.143427 -0.556090
C 2.217133 0.553065 -0.677133
C 1.612618 1.413034 0.456991
C -1.212908 0.066480 -1.659790
C 4.559970 0.180209 0.247602
C 3.434101 -1.700956 -0.260111
C 5.339475 -0.982314 0.498655
C 6.655013 -0.764301 1.004120
C -5.126862 -0.367454 -0.301280
C 6.220975 1.552733 0.929992
C -5.993216 0.733055 -0.388869
C -5.132000 -1.282587 0.763263
C -6.916240 0.920973 0.662780
C -6.067055 -1.070860 1.799121
C -6.963018 0.031805 1.769545
C -7.940937 0.262341 2.906201
H -0.546941 1.809766 0.830293
H -0.435255 -0.535432 0.272583
H 2.563771 1.177989 -1.520246
H 2.140620 2.372355 0.572428
H 1.671681 0.860238 1.412406
H -1.202945 -0.950930 -2.097074
H -1.042714 0.833284 -2.430051
H 0.204545 3.417385 -0.775152
H 2.612515 -2.315227 -0.615255
H 6.608006 2.559543 1.113981
H -5.959466 1.401963 -1.254442
H -4.450809 -2.139215 0.767933
H 7.209183 -2.757414 1.127262
H 8.439353 -1.587372 1.637895
H -7.609551 1.768381 0.620234
H -6.101663 -1.772927 2.639790
H -8.269295 -0.688954 3.359294
H -7.472838 0.863941 3.709300
H -8.837220 0.808977 2.566758


