%chk=000128185.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128185

0 1
 S    1.683900      0.1733000       1.966900    
 O    1.409100       2.583600      0.1178000    
 O  -0.8647000       3.350200      -1.228700    
 O    3.088600      0.3982000      -1.444000    
 O    4.494700     -0.8661000     -0.1908000    
 O   -4.621700      -2.238400     -0.1972000    
 O   -2.687100      -1.744400      -1.277800    
 N    2.363200      -2.821200     -0.7388000    
 C    1.923600      -1.495600       1.277900    
 C   -2.090400      0.3787000      0.5102000    
 C    2.151400      -1.462900     -0.2345000    
 C   0.2352000      0.7162000       1.069800    
 C  -0.9432000     -1.8700000E-02   1.197000    
 C   0.2672000       1.848800      0.2564000    
 C   -3.351000     -0.4065000      0.6457000    
 C   -2.058900       1.511200     -0.3033000    
 C  -0.8802000       2.246300     -0.4303000    
 C    3.367400     -0.6393000     -0.6149000    
 C   -3.487100      -1.513100     -0.3816000    
 H    1.062600      -2.123100       1.532600    
 H    2.793600      -1.925700       1.788100    
 H    1.272900      -1.060300     -0.7505000    
 H  -0.9839000     -0.8991000       1.834500    
 H   -4.217500      0.2584000      0.5473000    
 H   -3.401400     -0.8583000       1.643900    
 H   -2.949200       1.825100     -0.8428000    
 H    2.414600      -2.803900      -1.757000    
 H    1.558200      -3.401600     -0.5058000    
 H    2.107000       2.166500      0.6520000    
 H   2.8400000E-02   3.735300      -1.200400    
 H    3.890100      0.9220000      -1.657400    
 H   -4.709700      -2.954100     -0.8624000    


%chk=000128185-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128185

0 1
S 1.431702 -0.300369 1.787511
O 1.309248 2.033032 -0.435413
O -0.886377 3.037270 -1.560408
O 3.801223 0.889293 -0.245195
O 5.047909 -1.036874 0.106405
O -5.425112 -1.761208 0.180721
O -3.264293 -2.480512 0.622581
N 2.990916 -2.440977 -1.473663
C 1.909140 -1.718620 0.610578
C -2.475337 0.437905 0.584286
C 2.689374 -1.267174 -0.653948
C -0.038558 0.381702 0.903908
C -1.330131 -0.111792 1.207196
C 0.113875 1.436076 -0.025697
C -3.868563 -0.078997 0.911932
C -2.321937 1.498590 -0.343390
C -1.042167 1.994698 -0.643212
C 3.966105 -0.515143 -0.224419
C -4.091075 -1.546710 0.563302
H 0.986392 -2.227110 0.293980
H 2.521110 -2.405432 1.221625
H 2.050487 -0.580075 -1.234846
H -1.430341 -0.932344 1.922793
H -4.646674 0.515863 0.407489
H -4.064814 0.007790 2.000796
H -3.185855 1.948790 -0.842743
H 3.701306 -3.064141 -1.078634
H 3.117491 -2.262929 -2.472406
H 2.145436 1.582086 -0.108875
H 0.086185 3.238217 -1.630037
H 4.629885 1.341684 0.071921
H -5.560848 -2.731086 -0.002237


