%chk=000043160.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043160

0 1
 S    4.359700      0.6628000      0.8203000    
 O    1.264600      -1.323000     -0.1773000    
 O    4.118100       2.010200       1.704300    
 O    5.228800      0.9780000     -0.2935000    
 O    4.624400     -0.4458000       1.712900    
 O    3.395900      -1.455200      -1.047800    
 O   -1.270500      -2.477100      0.1374000    
 N   -4.842900      -2.294400      0.9951000    
 C   0.9726000       1.638000      -1.350800    
 C  -0.1019000       1.753400     -0.2665000    
 C    2.401600       1.618200     -0.7961000    
 C   -1.504300       1.762700     -0.8808000    
 C    2.697800      0.5029000      0.2091000    
 C   -2.624700       1.846400      0.1596000    
 C   -4.023200       1.928700     -0.4564000    
 C   -5.094600       2.083800      0.6240000    
 C    2.530200     -0.8671000     -0.4128000    
 C   -6.490000       2.133700      2.2000000E-02
 C   0.9553000      -2.603700     -0.7351000    
 C  -0.5250000      -2.657200      -1.060700    
 C   -2.669000      -2.496100     -0.1119000    
 C   -3.402700      -2.299200       1.205000    
 H   0.8818000       2.487300      -2.039600    
 H   0.7978000      0.7371000      -1.950900    
 H  -3.9299998E-02  0.9170000      0.4361000    
 H   5.4600000E-02   2.672900      0.3099000    
 H    3.082000       1.538400      -1.653900    
 H    2.603600       2.594000     -0.3373000    
 H   -1.589000       2.613300      -1.568500    
 H   -1.645000      0.8549000      -1.480800    
 H    2.062500      0.5650000       1.099800    
 H   -2.457400       2.729900      0.7884000    
 H   -2.567700      0.9734000      0.8206000    
 H   -4.215500       1.023000      -1.044300    
 H   -4.072100       2.779600      -1.146400    
 H   -4.916100       3.001000       1.197100    
 H   -5.037500       1.244900       1.327500    
 H   -7.239600       2.245700      0.8116000    
 H   -6.712100       1.214500     -0.5294000    
 H   -6.590700       2.980000     -0.6650000    
 H    3.592600       1.888600       2.529700    
 H    1.204300      -3.358800      1.7999999E-02
 H    1.527500      -2.798800      -1.648700    
 H  -0.7778000      -1.853100      -1.761600    
 H  -0.7738000      -3.624500      -1.510500    
 H   -2.947100      -3.456700     -0.5626000    
 H   -2.925900      -1.690900     -0.8113000    
 H   -3.092900      -1.355800       1.667700    
 H   -3.128000      -3.093600       1.908300    
 H   -5.136300      -3.186800      0.5998000    
 H   -5.316000      -2.210300       1.893700    


%chk=000043160-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043160

0 1
S 4.420183 0.410163 0.581315
O 1.652038 -1.658241 0.335248
O 4.046708 1.202629 2.231426
O 5.350319 1.419217 -0.272994
O 4.919893 -1.109039 0.805930
O 2.294127 -1.061284 -1.836819
O -1.088569 -2.784473 0.461527
N -4.690284 -2.026299 1.032450
C 0.894366 1.910441 -1.405086
C -0.232676 1.842012 -0.348944
C 2.339967 1.771918 -0.843654
C -1.625440 2.110844 -0.963184
C 2.487804 0.535284 0.034227
C -2.790364 1.865514 0.021907
C -4.176062 2.199466 -0.575245
C -5.347401 1.822419 0.360388
C 2.156242 -0.792469 -0.621647
C -6.726318 2.213503 -0.213825
C 1.235190 -3.010778 -0.139070
C -0.192804 -2.986307 -0.674313
C -2.476451 -2.518279 0.064090
C -3.282252 -2.329982 1.357056
H 0.843302 2.883082 -1.932948
H 0.730805 1.128423 -2.171483
H -0.244845 0.841342 0.131677
H -0.037510 2.574968 0.461338
H 3.051093 1.719775 -1.687470
H 2.598586 2.661950 -0.241557
H -1.667350 3.156285 -1.333946
H -1.762277 1.461553 -1.853635
H 2.036009 0.605776 1.034645
H -2.630891 2.466870 0.941434
H -2.781164 0.801575 0.339752
H -4.298781 1.663515 -1.539864
H -4.223952 3.283220 -0.812627
H -5.201905 2.316921 1.343312
H -5.313651 0.728909 0.542554
H -7.547213 1.930149 0.470943
H -6.907728 1.711273 -1.183100
H -6.791661 3.304896 -0.385268
H 4.913740 1.334079 2.712458
H 1.303481 -3.638737 0.761477
H 1.939933 -3.349124 -0.918345
H -0.311821 -2.181189 -1.430791
H -0.404989 -3.959119 -1.173758
H -2.878885 -3.369571 -0.532406
H -2.540322 -1.599198 -0.556807
H -2.854404 -1.472175 1.906134
H -3.136957 -3.230274 1.996310
H -5.215564 -2.812004 0.637117
H -5.206192 -1.558230 1.781469


