%chk=000094501.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094501

0 1
 S   -1.333400     -0.7220000      0.4217000    
 P   -3.302400     -0.6252000     -0.3058000    
 O   -4.339200     -0.7858000      0.9366000    
 O   -3.636100      0.8647000     -0.8638000    
 O   -3.517100      -1.675400      -1.365000    
 O    1.309500       1.795900     -0.1466000    
 N    1.120200     -0.4675000     -0.6412000    
 N    1.696300      -1.705200     -0.7238000    
 N    2.896800      -1.899100     -0.4358000    
 C  -0.2840000     -0.4264000      -1.013100    
 C    3.202800      0.4649000      0.1065000    
 C    1.795600      0.6725000     -0.2349000    
 C    3.691800     -0.8288000     -1.2700000E-02
 C    4.018300       1.517800      0.5329000    
 C    5.034300      -1.066600      0.3053000    
 C   -5.730500     -0.6984000      0.6801000    
 C   -3.494200       1.989600     -1.3500000E-02
 C    5.352400       1.266800      0.8463000    
 C    5.861100     -2.5300000E-02  0.7327000    
 C   -6.483500     -0.8734000       1.954000    
 C   -3.858800       3.226800     -0.7597000    
 H  -0.5232000      0.5592000      -1.424200    
 H  -0.4800000      -1.178000      -1.784800    
 H    3.633900       2.529400      0.6256000    
 H    5.446400      -2.069600      0.2220000    
 H   -5.963000      0.2736000      0.2350000    
 H   -6.008600      -1.478900     -3.5300002E-02
 H   -4.138600       1.871300      0.8625000    
 H   -2.457600       2.057300      0.3288000    
 H    5.995000       2.076800       1.178600    
 H    6.900800     -0.2235000      0.9763000    
 H   -7.562900     -0.8160000       1.786900    
 H   -6.253200      -1.840100       2.414400    
 H   -6.202500     -0.1048000       2.681900    
 H   -3.755700       4.114500     -0.1290000    
 H   -3.223700       3.351700      -1.643300    
 H   -4.891500       3.174400      -1.120900    


%chk=000094501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094501

0 1
S -1.899134 -1.211457 0.838331
P -3.232688 0.165281 -0.505063
O -4.734365 0.043600 0.348868
O -2.905725 1.822449 -0.262596
O -3.211678 -0.304038 -2.023110
O 0.061325 0.918072 -0.852267
N 0.636060 -1.299494 -0.372942
N 1.539353 -2.337429 0.048177
N 2.787998 -2.029375 0.266211
C -0.730951 -1.768223 -0.566190
C 2.378810 0.368679 -0.305175
C 0.954113 0.077774 -0.540335
C 3.246893 -0.694491 0.093447
C 2.894800 1.678845 -0.460722
C 4.622897 -0.440493 0.336549
C -5.560126 -1.188097 0.159090
C -2.340363 2.342218 1.017680
C 4.259079 1.922803 -0.220959
C 5.122300 0.862995 0.178843
C -6.758710 -1.036550 1.090045
C -1.694230 3.679880 0.673426
H -1.161633 -1.379564 -1.505522
H -0.709664 -2.865652 -0.551922
H 2.212347 2.476434 -0.770574
H 5.259998 -1.275818 0.641722
H -5.863672 -1.250412 -0.902048
H -4.949387 -2.076139 0.414876
H -3.171291 2.445986 1.739891
H -1.596895 1.619647 1.403823
H 4.662109 2.933584 -0.342562
H 6.182147 1.066511 0.363394
H -7.423940 -1.914249 0.989546
H -6.431680 -0.963183 2.140992
H -7.334553 -0.130489 0.836859
H -1.272600 4.137233 1.588332
H -0.885313 3.525113 -0.059336
H -2.436129 4.375250 0.245920


