%chk=000153449.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153449

0 1
 S   -1.676600      -1.846100      0.1032000    
 O    2.047000       1.640700     -0.5399000    
 O   -1.397300      -2.149800       1.683900    
 O   -2.980300      -2.405800     -0.2156000    
 O  -0.4952000      -2.233000     -0.6496000    
 N    1.851100      0.5785000      0.1413000    
 C    3.025400     -0.1890000      0.5652000    
 C    3.795600     -0.5850000     -0.6915000    
 C    3.824600      0.7270000       1.475800    
 C  -0.6818000      0.7153000      0.1613000    
 C   0.6338000      0.1618000      0.4428000    
 C    2.950800      -1.391000      -1.670300    
 C   -1.799600     -0.1033000     -1.0500000E-02
 C  -0.8144000       2.101500      6.3800000E-02
 C   -3.045900      0.4628000     -0.2789000    
 C   -2.060700       2.667400     -0.2048000    
 C   -3.176500       1.848200     -0.3762000    
 H    2.715200      -1.082700       1.116900    
 H    4.665500      -1.186100     -0.3993000    
 H    4.190900      0.2971000      -1.210700    
 H    4.701600      0.2016000       1.868900    
 H    4.183600       1.623000      0.9571000    
 H    3.221800       1.056600       2.329500    
 H   0.6455000     -0.7666000       1.035100    
 H    2.139300     -0.7961000      -2.099900    
 H    3.574500      -1.740600      -2.499600    
 H    2.517700      -2.270200      -1.182700    
 H   2.3300000E-02   2.773200      0.2231000    
 H   -3.935400     -0.1449000     -0.4151000    
 H   -2.164400       3.746400     -0.2729000    
 H   -4.147200       2.289400     -0.5829000    
 H   -2.106300      -1.855700       2.303000    


%chk=000153449-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153449

0 1
S -2.027154 -1.833265 0.629789
O 2.056849 1.826564 -0.125800
O -1.612473 -1.525516 2.420100
O -3.555652 -2.351404 0.517447
O -0.840575 -2.757822 0.021907
N 1.802251 0.561795 0.189930
C 3.034812 -0.287331 0.500814
C 3.953240 -0.310482 -0.742916
C 3.728027 0.299661 1.744219
C -0.676847 0.660209 -0.024361
C 0.583259 -0.006373 0.250433
C 3.295326 -0.930465 -1.992674
C -1.926500 -0.024214 0.094586
C -0.778216 2.032323 -0.434629
C -3.180432 0.547906 -0.155746
C -2.027533 2.627270 -0.696975
C -3.231868 1.898915 -0.565245
H 2.663364 -1.308053 0.709853
H 4.859112 -0.883598 -0.465935
H 4.271000 0.727783 -0.952003
H 4.633030 -0.288327 1.977317
H 4.022418 1.345030 1.550738
H 3.062636 0.278154 2.625113
H 0.582255 -1.066458 0.507691
H 2.429445 -0.331396 -2.327028
H 4.014579 -0.973395 -2.829817
H 2.941785 -1.960331 -1.797609
H 0.153586 2.593150 -0.530643
H -4.088638 -0.051896 -0.037776
H -2.060460 3.676489 -1.009690
H -4.198465 2.368381 -0.771440
H -1.656561 -2.408704 2.890850


