%chk=000159245.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159245

0 1
 S   -1.485300      0.3490000       2.769200    
 P   -1.533200     -0.2636000      0.9076000    
 O  -0.1761000      -1.035700      0.4486000    
 O   -2.592000      -1.489100      0.6815000    
 O    2.583400       2.842400      0.2932000    
 O    2.997300      -3.331300     -0.6919000    
 O   0.8799000      -3.192800     -0.1292000    
 N   -1.881800      0.8456000     -0.2818000    
 N    1.996400      -2.663000     -0.3404000    
 C   -3.058200       1.706400     -0.1587000    
 C   -2.967400       2.916400      -1.102000    
 C   -4.306500      0.8812000     -0.4681000    
 C   -1.756800       3.803900     -0.8418000    
 C    1.050300     -0.4732000      0.2135000    
 C   -2.607800      -2.206800     -0.5421000    
 C    2.132300      -1.257000     -0.1755000    
 C    1.196100      0.9017000      0.3720000    
 C    2.435300       1.498200      0.1392000    
 C    3.371500     -0.6606000     -0.4084000    
 C   -3.678100      -3.275100     -0.4732000    
 C    3.523100      0.7170000     -0.2510000    
 C    3.877700       3.386400      3.9299998E-02
 H   -3.135300       2.091700      0.8636000    
 H   -2.941700       2.580800      -2.146600    
 H   -3.872700       3.526300     -0.9918000    
 H   -1.781800      0.5368000      -1.248200    
 H   -4.475300      0.1006000      0.2786000    
 H   -4.253300      0.4157000      -1.458200    
 H   -5.196400       1.521200     -0.4571000    
 H   -1.790700       4.685100      -1.490500    
 H  -0.8205000       3.276000      -1.047100    
 H   -1.739500       4.148000      0.1971000    
 H   -1.638600      -2.680600     -0.7096000    
 H   -2.812000      -1.529200      -1.374600    
 H   0.3883000       1.553000      0.6799000    
 H    4.241900      -1.236000     -0.7135000    
 H   -3.715200      -3.851900      -1.401600    
 H   -3.487600      -3.959000      0.3606000    
 H   -4.660600      -2.824600     -0.2976000    
 H    4.512600       1.115400     -0.4480000    
 H    3.813600       4.466000      0.2100000    
 H    4.623100       2.995700      0.7404000    
 H    4.175800       3.245100      -1.005000    


%chk=000159245-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000159245

0 1
S -1.952145 1.261475 2.562309
P -1.818544 -0.086827 1.017275
O -0.216227 -0.835102 0.594008
O -2.557824 -1.591869 1.426054
O 3.295196 2.168757 1.833041
O 1.593325 -1.493361 -3.085521
O -0.461941 -1.172532 -2.172624
N -2.219665 0.472549 -0.543547
N 0.830612 -1.008193 -2.161016
C -3.171622 1.569220 -0.847279
C -2.571433 2.492616 -1.939241
C -4.551202 1.007291 -1.262879
C -1.278729 3.212810 -1.505812
C 0.886072 -0.081205 0.211235
C -2.638269 -2.681342 0.397666
C 1.454342 -0.219571 -1.098615
C 1.544632 0.727881 1.155359
C 2.748609 1.393444 0.819138
C 2.681101 0.415361 -1.409110
C -3.374957 -3.831735 1.076605
C 3.329070 1.231155 -0.471539
C 4.564787 2.863695 1.573234
H -3.285133 2.156173 0.086434
H -2.387459 1.891447 -2.853897
H -3.345161 3.238282 -2.208045
H -1.763697 -0.032948 -1.322103
H -4.967236 0.364751 -0.466730
H -4.466061 0.405607 -2.187145
H -5.264954 1.830272 -1.452648
H -0.891239 3.853617 -2.318793
H -0.491601 2.486325 -1.236067
H -1.457898 3.851518 -0.621427
H -1.613805 -2.958164 0.093887
H -3.189615 -2.300374 -0.484261
H 1.131715 0.831261 2.162161
H 3.103314 0.262156 -2.406087
H -3.478602 -4.676668 0.370491
H -2.816767 -4.179797 1.961737
H -4.381606 -3.516666 1.399478
H 4.263646 1.727256 -0.744046
H 4.789863 3.396427 2.507563
H 5.372744 2.142857 1.347286
H 4.458565 3.588251 0.744276


