%chk=000068940.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068940

0 1
 S   0.1043000      0.9499000      0.3639000    
 O  -0.6048000      -3.603000     -0.2542000    
 O   -4.528000       1.719500      0.4693000    
 O   -4.126500      -2.307400      6.4700000E-02
 O    3.459800      -1.284200       1.769300    
 O   -3.193800      -2.166500      -2.018600    
 O   -6.310900       2.335700     -0.8646000    
 N   -1.169800      -1.378100      0.2856000    
 N    1.888700      -1.529500      7.9300001E-02
 C  -0.2831000     -0.6277000       1.156000    
 C   0.7344000      -1.770200      0.9446000    
 C  -0.4337000      -2.509300      0.2315000    
 C   -2.336400     -0.8880000     -0.2072000    
 C   -2.621700      0.4352000     -0.1647000    
 C   -1.638400       1.490900      0.3361000    
 C   -3.926800       1.045600     -0.6161000    
 C    3.173500      -1.303600      0.5749000    
 C   -3.246400      -1.849600     -0.8473000    
 C    4.181700      -1.080900     -0.5353000    
 C    4.856400      0.2636000     -0.4673000    
 C    4.293200       1.344700      -1.130700    
 C    6.031300      0.4026000      0.2581000    
 C   -5.729500       2.329600      0.2120000    
 C    4.917900       2.590200      -1.067600    
 C    6.655900       1.648300      0.3212000    
 C   -6.246200       3.000200       1.448700    
 C    6.099100       2.742100     -0.3417000    
 H  -0.6573000     -0.5512000       2.183800    
 H    1.019000      -2.273900       1.876900    
 H   -1.922900       1.809000       1.344900    
 H   -1.673800       2.370700     -0.3152000    
 H    1.754700      -1.513300     -0.9289000    
 H   -4.622200      0.2901000     -0.9965000    
 H   -3.729100       1.754300      -1.430100    
 H    4.929100      -1.881600     -0.4611000    
 H    3.723300      -1.208500      -1.523600    
 H   -4.755800      -2.953300     -0.3213000    
 H    3.372300       1.237000      -1.696800    
 H    6.472200     -0.4423000      0.7795000    
 H    4.484000       3.442100      -1.583000    
 H    7.575400       1.766700      0.8869000    
 H    6.585300       3.712000     -0.2923000    
 H   -5.536800       3.762900       1.779500    
 H   -6.406000       2.256600       2.233300    
 H   -7.201300       3.484800       1.227000    


%chk=000068940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068940

0 1
S -0.171062 0.943521 -0.104775
O -0.453646 -3.457891 -0.996650
O -4.857137 1.528825 0.679513
O -3.145445 -3.488522 0.418263
O 3.528323 -2.052005 1.280424
O -4.588004 -2.299073 -0.960493
O -4.602902 3.317998 -0.804814
N -1.278645 -1.563669 0.320152
N 1.972258 -1.372106 -0.310267
C -0.244999 -0.670378 0.884144
C 0.838836 -1.747977 0.495900
C -0.337913 -2.500024 -0.220968
C -2.603945 -1.207310 -0.006564
C -2.978928 0.119960 -0.076853
C -2.022001 1.276345 0.172324
C -4.392669 0.564018 -0.377609
C 3.278536 -1.558933 0.141547
C -3.547708 -2.339528 -0.259119
C 4.375676 -1.092219 -0.822207
C 4.817629 0.343052 -0.524916
C 4.722671 1.348987 -1.518058
C 5.333302 0.682918 0.752725
C -4.971266 2.879252 0.308396
C 5.137853 2.672928 -1.243865
C 5.745452 2.004998 1.027458
C -5.603817 3.677455 1.424913
C 5.650486 3.004822 0.030400
H -0.374435 -0.437495 1.951238
H 1.229387 -2.283232 1.379664
H -2.133630 1.648234 1.206575
H -2.269021 2.111480 -0.506380
H 1.809453 -0.952332 -1.227633
H -5.116791 -0.259476 -0.364618
H -4.434942 1.085768 -1.353150
H 5.223560 -1.786501 -0.684577
H 4.038554 -1.175866 -1.871415
H -3.741469 -4.244897 0.168266
H 4.331056 1.097727 -2.511926
H 5.399646 -0.090206 1.527028
H 5.061474 3.440229 -2.022493
H 6.142035 2.255507 2.017857
H 5.972998 4.029849 0.244571
H -5.211592 3.359702 2.404350
H -6.694296 3.498014 1.431260
H -5.422620 4.750251 1.265283


