%chk=000153002.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153002

0 1
 S   -2.840100      -2.554300      0.1323000    
 O   -2.183700      -3.789200      0.5250000    
 O   -3.907600      -2.001100      0.9477000    
 N    3.117000     -0.6558000      1.0200000E-02
 N  -7.5900003E-02   3.329600     -0.1515000    
 N   -3.388800      -2.700300      -1.477000    
 C   0.7233000     -0.8546000     -0.5014000    
 C  -0.8218000      0.9833000     -0.1103000    
 C    2.103400      -1.337400     -0.7967000    
 C   -1.875000      5.2999999E-02  5.7799999E-02
 C   -1.603600      -1.320000     -5.8300000E-02
 C   0.4718000      0.5131000     -0.3895000    
 C  -0.3123000      -1.769400     -0.3361000    
 C   -1.093200       2.356300      5.7999999E-03
 C    4.454900      -1.118400     -0.3550000    
 C   -3.168600      0.5232000      0.3370000    
 C    5.514700     -0.3389000      0.4193000    
 C   -2.384400       2.805600      0.2836000    
 C    2.869100     -0.8775000       1.433700    
 C   -3.420100       1.890800      0.4490000    
 C    6.918200     -0.7868000      4.1200001E-02
 C   0.6903000       3.772700      0.9922000    
 C   0.2123000       3.876200      -1.459100    
 H    2.170300      -2.423800     -0.6471000    
 H    2.291000      -1.154200      -1.863000    
 H    1.292400       1.210600     -0.5401000    
 H  -0.1000000      -2.830300     -0.4387000    
 H    4.569800      -2.194900     -0.1710000    
 H    4.619400     -0.9541000      -1.427600    
 H   -4.070500     -6.2700003E-02  0.3710000    
 H    5.414600      0.7358000      0.2253000    
 H    5.428400     -0.4895000       1.499600    
 H   -2.596300       3.868600      0.3682000    
 H    3.064300      -1.915100       1.730700    
 H    1.845000     -0.6406000       1.739600    
 H    3.477300     -0.2142000       2.056200    
 H   -4.429200       2.245200      0.6399000    
 H    7.064800      -1.849000      0.2622000    
 H    7.106400     -0.6283000      -1.025500    
 H    7.663700     -0.2167000      0.6048000    
 H    1.293500       4.656800      0.7595000    
 H   2.9800000E-02   4.041000       1.824100    
 H    1.369200       2.983800       1.332300    
 H  -0.5537000       4.605900      -1.741600    
 H    1.184300       4.380200      -1.483000    
 H   0.2360000       3.090100      -2.221900    
 H   -3.147200      -3.557900      -1.988400    
 H   -4.322300      -2.333300      -1.698400    


%chk=000153002-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153002

0 1
S -3.075271 -2.663828 -0.260049
O -2.372356 -4.122758 -0.466877
O -4.188024 -2.447562 0.909802
N 3.175300 -0.870276 0.256850
N 0.141828 3.185873 0.123322
N -3.966299 -2.174614 -1.799972
C 0.728175 -1.074975 -0.271689
C -0.777643 0.872903 0.041094
C 2.129071 -1.664299 -0.426960
C -1.945929 0.001603 0.052922
C -1.675721 -1.384377 -0.186978
C 0.525605 0.296273 -0.081533
C -0.409925 -1.932193 -0.351419
C -0.968230 2.307026 0.218890
C 4.532005 -1.142245 -0.284177
C -3.241771 0.537772 0.340462
C 5.597892 -0.125382 0.173976
C -2.255619 2.783008 0.537867
C 3.096234 -1.016558 1.728318
C -3.370859 1.901653 0.607501
C 6.947286 -0.353572 -0.542226
C 0.058687 4.495347 0.786559
C 0.951743 3.219170 -1.115795
H 2.112553 -2.730729 -0.084476
H 2.383380 -1.691866 -1.506129
H 1.413729 0.925535 0.025179
H -0.301299 -3.012984 -0.501516
H 4.880807 -2.175921 -0.020213
H 4.464409 -1.099942 -1.389447
H -4.109279 -0.124505 0.384660
H 5.221514 0.894946 -0.032847
H 5.753335 -0.196262 1.267467
H -2.417940 3.853114 0.696733
H 3.366547 -2.046708 2.071472
H 2.068415 -0.801841 2.066259
H 3.768915 -0.297483 2.223480
H -4.356864 2.314155 0.848674
H 7.331989 -1.373808 -0.353546
H 6.845333 -0.229750 -1.636922
H 7.711162 0.363561 -0.191552
H 1.078664 4.908937 0.885387
H -0.553058 5.238331 0.222818
H -0.366957 4.384696 1.797871
H 0.630363 4.057112 -1.774279
H 2.024203 3.356365 -0.880477
H 0.835310 2.284262 -1.682073
H -3.555024 -2.675121 -2.605659
H -4.965488 -2.398584 -1.653755


