%chk=000001284.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001284

0 1
 S   3.9400000E-02   3.496900      3.2200001E-02
 O    2.996800     -0.8336000      0.4355000    
 O  -0.1129000     -0.9090000       1.001700    
 O   -2.662200     -0.4905000     -0.1985000    
 O   -3.953200       1.307900      0.4785000    
 O    4.772300      -1.231400     -0.9882000    
 N  -0.4907000      0.9489000     -0.4081000    
 C    1.454400       1.000100      0.3288000    
 C   0.6301000       1.884000     -0.6238000    
 C   0.2027000      9.0800002E-02  0.3969000    
 C    2.665300      0.3468000     -0.2955000    
 C   -1.661900       1.569700     -6.8400003E-02
 C   -1.587100       2.885400      0.1611000    
 C    3.863700       1.288400     -0.2907000    
 C   -2.894000      0.8136000      0.1093000    
 C    4.078500      -1.527600     -2.4700001E-02
 C   -3.786400      -1.367400     -7.2600000E-02
 C    4.306800      -2.734100      0.8346000    
 C   -3.356000      -2.776100     -0.4518000    
 C   -4.505800      -3.762900     -0.3560000    
 H    1.673200       1.441300       1.310900    
 H   0.9462000       1.909200      -1.672200    
 H    2.435600      5.1600002E-02  -1.328200    
 H   -2.406500       3.522500      0.4640000    
 H    3.555200       2.307500     -0.5509000    
 H    4.336300       1.325500      0.6974000    
 H    4.633100       1.017900      -1.017200    
 H   -4.587100      -1.024800     -0.7385000    
 H   -4.145100      -1.348100      0.9631000    
 H    3.430900      -3.386600      0.7972000    
 H    4.512400      -2.423400       1.862000    
 H    5.170900      -3.289000      0.4585000    
 H   -2.950400      -2.774800      -1.470600    
 H   -2.533700      -3.096700      0.1989000    
 H   -5.321800      -3.481100      -1.028900    
 H   -4.168400      -4.766500     -0.6333000    
 H   -4.900800      -3.807100      0.6639000    


%chk=000001284-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001284

0 1
S 0.055170 3.602006 0.419677
O 3.474536 -0.561777 0.570731
O 0.208967 -0.967391 1.281833
O -2.749542 -0.523914 -0.241037
O -4.083900 1.266233 0.472001
O 3.913286 -2.005814 -1.212816
N -0.412446 0.967314 -0.101277
C 1.677054 1.010996 0.417828
C 0.684925 1.932192 -0.359168
C 0.434160 0.086241 0.676551
C 2.859717 0.426308 -0.367887
C -1.695628 1.550148 0.161202
C -1.610264 2.887441 0.462956
C 3.915772 1.469446 -0.756624
C -2.962946 0.790500 0.154884
C 3.935222 -1.769646 0.014712
C -3.943965 -1.420919 -0.217556
C 4.415888 -2.691370 1.110380
C -3.453989 -2.819313 -0.592878
C -4.614661 -3.839162 -0.580569
H 2.030802 1.454634 1.364002
H 0.895368 2.139873 -1.418923
H 2.513235 -0.124727 -1.262956
H -2.458855 3.514823 0.736616
H 3.478806 2.245232 -1.412097
H 4.328774 1.962301 0.141024
H 4.740791 0.986973 -1.307155
H -4.690507 -1.027585 -0.932982
H -4.384789 -1.387689 0.796277
H 3.548232 -3.039775 1.698829
H 5.087981 -2.155828 1.801149
H 4.930841 -3.557413 0.670682
H -2.987919 -2.783363 -1.595092
H -2.664404 -3.124533 0.117964
H -5.406474 -3.559689 -1.300784
H -4.251271 -4.845202 -0.854349
H -5.078168 -3.910251 0.421252


