%chk=000167986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167986

0 1
 S  -0.2454000      -2.951600      0.8352000    
 P   -1.097300      -1.043100      0.6145000    
 O   -2.717800      -1.176800      0.6297000    
 O  -0.7987000     -0.4486000     -0.8688000    
 O   0.3789000       2.423500     -0.3571000    
 O  -0.5926000     -0.1206000       1.693900    
 O    2.200900      -2.281800     -0.9582000    
 O    2.020800       2.410800       1.263300    
 N    2.652900     -0.6525000      0.6364000    
 C    3.325200      0.2851000     -0.2341000    
 C    2.360600       1.280300     -0.8664000    
 C    1.473000      -2.653800       1.295600    
 C    2.144800      -1.864000      0.1971000    
 C    1.603600       2.100700      0.1560000    
 C   -3.500800     -9.9999998E-03  0.4421000    
 C   -1.199300      -1.174100      -2.018300    
 C   -4.966200     -0.3857000      0.4962000    
 C  -0.8008000     -0.3977000      -3.255300    
 C  -0.4662000       3.193600      0.5037000    
 C   -1.775500       3.466300     -0.2057000    
 H    4.071700      0.8060000      0.3749000    
 H    3.853000     -0.2687000      -1.017900    
 H    2.905600       1.973700      -1.515400    
 H    1.640800      0.7317000      -1.482900    
 H    2.547000     -0.3899000       1.611700    
 H    1.505000      -2.132300       2.255900    
 H    1.997100      -3.607400       1.408000    
 H   -3.264900      0.7138000       1.228200    
 H   -3.271900      0.4332000     -0.5304000    
 H  -0.7107000      -2.152300      -2.025900    
 H   -2.282700      -1.323400      -2.002400    
 H   -5.204100      -1.121800     -0.2788000    
 H   -5.210700     -0.8468000       1.458900    
 H   -5.600500      0.4938000      0.3547000    
 H   -1.249800      0.6010000      -3.245200    
 H   0.2845000     -0.2595000      -3.291500    
 H   -1.117900     -0.9195000      -4.162500    
 H   2.6500000E-02   4.141300      0.7481000    
 H  -0.6557000       2.636100       1.427000    
 H   -1.602600       4.051800      -1.114800    
 H   -2.248400       2.532600     -0.5201000    
 H   -2.464700       4.016300      0.4409000    


%chk=000167986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167986

0 1
S -0.524326 -2.937041 1.078828
P -1.258440 -0.882191 0.345640
O -2.936439 -1.314663 0.272544
O -0.773720 -0.706118 -1.304807
O 0.624520 3.184306 -0.134619
O -0.890300 0.433541 1.163432
O 2.122621 -2.481148 -0.936975
O 2.005187 2.047430 1.350321
N 2.416108 -0.577000 0.389951
C 2.960451 0.285401 -0.670770
C 1.958967 1.404207 -1.037131
C 1.305037 -2.502165 1.387151
C 1.986491 -1.864156 0.166681
C 1.563371 2.222370 0.183900
C -3.956403 -0.272923 0.614933
C -0.843307 -1.878563 -2.241166
C -5.310472 -0.961550 0.482363
C -0.382066 -1.357056 -3.597413
C -0.005063 3.893809 1.026678
C -1.014902 4.875338 0.442535
H 3.914148 0.723033 -0.324198
H 3.158317 -0.353038 -1.547489
H 2.389033 2.077322 -1.802700
H 1.037050 0.967208 -1.462904
H 2.211844 -0.094280 1.272681
H 1.360361 -1.875302 2.290197
H 1.757255 -3.488457 1.583559
H -3.769587 0.086382 1.643470
H -3.854711 0.577742 -0.085354
H -0.166211 -2.663351 -1.859306
H -1.886219 -2.246224 -2.264112
H -5.466632 -1.323888 -0.547693
H -5.378417 -1.820705 1.170615
H -6.118081 -0.247759 0.730045
H -1.024627 -0.532911 -3.951417
H 0.660705 -1.002847 -3.536023
H -0.422266 -2.178095 -4.337168
H 0.791743 4.395022 1.604733
H -0.473546 3.120655 1.661192
H -0.518833 5.614891 -0.209439
H -1.778537 4.344025 -0.150602
H -1.523403 5.418448 1.260138


