%chk=000023568.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023568

0 1
 S   -3.198000      -2.572400      0.5563000    
 O   -1.871700      0.6163000      -2.177100    
 O   -6.137200       1.089800     -0.1076000    
 O   -4.171600       2.050800      0.5318000    
 O    1.204800     -0.2165000      -2.164800    
 O    1.644000       2.500100     -0.3433000    
 N   -2.765600     -0.1048000     -0.1152000    
 N   0.3280000     -0.6042000     -5.4299999E-02
 C   -2.040400      -1.155800      0.6045000    
 C   -4.664700      -1.424300      0.5771000    
 C   -4.200500     -0.2242000     -0.2761000    
 C  -0.9795000      -1.092200     -0.5030000    
 C   -1.865500     -6.9999998E-04  -1.136100    
 C   -5.860300      -2.133200     -6.1700001E-02
 C   -4.976100      -1.082700       2.040600    
 C   -4.797400       1.095200      9.7800002E-02
 C    1.325900     -0.2008000     -0.9425000    
 C    2.591000      0.2912000     -0.3406000    
 C    3.637000     -0.5863000     -6.4300001E-02
 C    2.672900       1.647500     -7.1999997E-02
 C    4.821000     -6.5800004E-02  0.5104000    
 C    3.837300       2.159300      0.4929000    
 C    3.553100      -1.961400     -0.3371000    
 C    4.905100       1.309500      0.7829000    
 C    5.886000     -0.9357000      0.7956000    
 C    4.621000      -2.811100     -4.6900000E-02
 C    5.785200      -2.299300      0.5185000    
 C    1.088200       3.214300      0.7583000    
 C  -0.3720000       3.497500      0.4760000    
 H   -1.734300     -0.8372000       1.605700    
 H   -4.393800     -0.3877000      -1.344900    
 H  -0.8859000      -1.988100      -1.126700    
 H   -6.132300      -3.039900      0.4917000    
 H   -6.744000      -1.486400     -7.3100001E-02
 H   -5.655500      -2.423900      -1.098700    
 H   -5.169900      -1.986900       2.630200    
 H   -4.156800     -0.5380000       2.522900    
 H   -5.873300     -0.4589000       2.120300    
 H   0.5351000     -0.5499000      0.9404000    
 H   -6.548600       1.946500      0.1352000    
 H    3.934700       3.220200      0.7066000    
 H    2.663700      -2.403800     -0.7793000    
 H    5.806400       1.731500       1.222600    
 H    6.805600     -0.5574000       1.237500    
 H    4.543600      -3.872800     -0.2627000    
 H    6.616200      -2.961400      0.7440000    
 H    1.169400       2.633600       1.685600    
 H    1.631700       4.157200      0.8821000    
 H  -0.8253000       4.066100       1.292700    
 H  -0.4834000       4.063900     -0.4544000    
 H  -0.9271000       2.562900      0.3479000    


%chk=000023568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023568

0 1
S -3.248075 -2.600918 0.030650
O -2.289774 1.441349 -1.831532
O -6.677521 0.970397 0.284241
O -4.929916 1.575921 1.696277
O 1.252349 -1.853776 -0.935093
O 1.457569 2.093837 0.353001
N -3.134522 0.065496 -0.014485
N 0.102092 -0.053656 -0.064284
C -2.262175 -1.037265 0.463635
C -4.895032 -1.619029 0.382977
C -4.579305 -0.127353 -0.093555
C -1.157011 -0.547866 -0.557801
C -2.213640 0.529823 -0.987025
C -6.022520 -2.241278 -0.458420
C -5.195631 -1.704136 1.895353
C -5.351504 0.897826 0.741822
C 1.291694 -0.724293 -0.343195
C 2.578920 -0.050653 0.088706
C 3.813519 -0.825046 0.183525
C 2.649863 1.342301 0.371844
C 5.056374 -0.153913 0.527209
C 3.882241 1.992374 0.686935
C 3.878429 -2.247702 -0.028447
C 5.057291 1.255641 0.758746
C 6.278249 -0.896052 0.637755
C 5.083909 -2.944504 0.094544
C 6.300316 -2.273265 0.426410
C 1.495329 3.575320 0.303602
C 0.058423 4.042668 0.082721
H -1.991474 -1.016013 1.528631
H -4.907045 -0.011447 -1.143796
H -0.970457 -1.302818 -1.342070
H -6.230667 -3.274214 -0.128164
H -6.947399 -1.647707 -0.338844
H -5.758658 -2.266237 -1.529872
H -5.279286 -2.761345 2.196711
H -4.402755 -1.234844 2.502899
H -6.154688 -1.203994 2.133037
H 0.179272 0.909649 0.291089
H -7.180202 1.634216 0.830154
H 3.900242 3.067224 0.882525
H 2.966499 -2.772825 -0.313134
H 6.002348 1.753635 1.004964
H 7.196549 -0.355227 0.896242
H 5.093544 -4.027550 -0.072217
H 7.235224 -2.837250 0.513164
H 1.901454 3.960489 1.259670
H 2.158560 3.885110 -0.527106
H 0.033936 5.145299 0.013449
H -0.357664 3.624602 -0.849794
H -0.591072 3.738698 0.922047


