%chk=000003870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003870

0 1
 S  -0.8133000      0.2870000      0.3174000    
 O    1.599400       2.362500      0.7928000    
 O   0.8959000      -1.530800       1.420400    
 O    5.091800       1.309700     -0.9536000    
 O   0.5324000      0.5735000      -1.937600    
 O   -3.863700      -1.010600       2.087300    
 O   -3.074000      -2.669700      0.7590000    
 O   -5.083700       1.316600      -1.806700    
 N    2.962100      0.3412000     -0.9655000    
 N   -4.037600      0.7647000      0.1990000    
 C    1.896400      8.8699996E-02 -2.2100000E-02
 C    2.190100       1.100100       1.094000    
 C    1.944900      -1.358000      0.4669000    
 C    3.728000       1.204700       1.075600    
 C    1.761300      -2.393300     -0.6611000    
 C    4.052000      0.9952000     -0.3953000    
 C   0.5998000      0.3458000     -0.7358000    
 C    4.309700       2.499000       1.615300    
 C    3.052700      -2.542800      -1.476000    
 C    1.331000      -3.764200     -0.1354000    
 C   -2.068800     -0.2832000     -0.8490000    
 C   -3.449800     -0.4833000     -0.2198000    
 C   -3.430600      -1.506600      0.9036000    
 C   -4.807600       1.560500     -0.6349000    
 C   -5.318400       2.793500      6.1299998E-02
 H    1.828500      0.8086000       2.083400    
 H    2.885100      -1.572200      0.9908000    
 H    4.160400      0.3552000       1.619300    
 H    2.907000      0.1447000      -1.959300    
 H   0.9614000      -2.089200      -1.345700    
 H    5.404200       2.453400       1.623000    
 H    3.970600       2.679700       2.640000    
 H    4.030000       3.360400      0.9995000    
 H    1.926800       2.653300     -7.5300001E-02
 H    3.946000      -2.505600     -0.8440000    
 H    3.138500      -1.790900      -2.261300    
 H    3.070300      -3.505200      -2.001300    
 H    2.056200      -4.155200      0.5864000    
 H   0.3523000      -3.716300      0.3535000    
 H    1.243300      -4.488700     -0.9525000    
 H    1.202800      -1.178500       2.272200    
 H   -1.722700      -1.232800      -1.272900    
 H   -2.138800      0.4390000      -1.670200    
 H   -4.116200     -0.9019000     -0.9853000    
 H   -3.864100       1.075600       1.150800    
 H   -3.849400      -1.688500       2.796200    
 H   -5.759100       3.475000     -0.6717000    
 H   -6.080000       2.510400      0.7930000    
 H   -4.497800       3.308200      0.5692000    


%chk=000003870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003870

0 1
S -0.797113 0.779206 0.111063
O 2.066685 2.663025 -0.162969
O 1.128341 -0.742569 2.065392
O 5.427218 0.489197 -1.195353
O 0.637350 0.297946 -2.176128
O -3.312764 -2.153162 0.288606
O -2.116883 -2.096516 -1.702000
O -5.093201 2.063476 -0.939271
N 3.122635 -0.016069 -1.058288
N -4.052149 0.355281 0.225497
C 1.982630 0.157375 -0.134809
C 2.439738 1.479040 0.608170
C 1.885114 -1.089645 0.849587
C 3.982483 1.301026 0.706222
C 1.201205 -2.363466 0.284656
C 4.312390 0.560066 -0.617688
C 0.680826 0.383553 -0.927295
C 4.811637 2.577043 0.914507
C 1.762628 -2.832222 -1.080256
C 1.319607 -3.503408 1.325516
C -2.090852 0.863306 -1.270970
C -3.293630 -0.060738 -0.958686
C -2.836756 -1.516089 -0.866036
C -4.941896 1.415355 0.143290
C -5.706466 1.744270 1.418450
H 1.926410 1.620654 1.569919
H 2.938138 -1.339422 1.109892
H 4.206931 0.590186 1.530543
H 3.047743 -0.545058 -1.927893
H 0.128440 -2.119079 0.154732
H 5.875415 2.357468 0.719444
H 4.707195 2.956528 1.946075
H 4.490526 3.377060 0.227085
H 2.453623 2.596020 -1.075828
H 2.859726 -2.972008 -1.041154
H 1.512557 -2.142055 -1.904636
H 1.312006 -3.806764 -1.339756
H 2.376538 -3.809887 1.453629
H 0.925549 -3.188207 2.305455
H 0.756524 -4.391935 0.985859
H 1.701051 -0.227459 2.686564
H -1.577852 0.554624 -2.198114
H -2.444487 1.901195 -1.351940
H -3.968133 0.027514 -1.837804
H -3.971669 -0.211644 1.070943
H -2.983068 -3.091507 0.313695
H -5.464735 2.775310 1.729419
H -6.788954 1.713235 1.206803
H -5.482949 1.058653 2.253462


