%chk=000127912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127912

0 1
 S    5.693900     -0.4053000       1.854500    
 O   -4.051400      0.6390000       1.954400    
 N   0.3572000       2.726500     -0.5099000    
 N    2.585600       1.217700      0.4546000    
 N    4.488900      0.7297000       1.807100    
 N   -4.194600       1.255900     -0.2772000    
 N   -1.889000      -1.302000      0.1983000    
 C   0.4004000       1.267000     -0.6714000    
 C    1.715700       3.281900     -0.5618000    
 C    1.242100      0.6265000      0.4330000    
 C    2.603300       2.682300      0.5330000    
 C  -0.4858000       3.332700      -1.539700    
 C   -1.930100       2.833200      -1.464100    
 C    3.690300      0.4590000      0.7730000    
 C   -2.596300       3.125900     -0.1140000    
 C    4.024800     -0.6860000     -2.8999999E-02
 C   -4.052500       2.671400     -7.3500000E-02
 C    5.173600      -1.297100      0.4781000    
 C    3.412600      -1.248300      -1.170700    
 C    5.733100      -2.443200     -0.1080000    
 C    3.961900      -2.390400      -1.762500    
 C    5.107000      -2.978400      -1.236100    
 C   -4.182200      0.3417000      0.7699000    
 C   -4.313900      -1.088800      0.3910000    
 C   -3.190800      -1.846000      0.1241000    
 C   -5.588200      -1.617900      0.3189000    
 C   -3.347200      -3.186400     -0.2290000    
 C   -5.744400      -2.958300     -3.4400001E-02
 C   -4.623900      -3.742500     -0.3084000    
 H  -0.5934000      0.8308000     -0.5993000    
 H   0.8083000      0.9970000      -1.654300    
 H    2.171800       3.095100      -1.543500    
 H    1.682400       4.368600     -0.4181000    
 H    1.259200     -0.4596000      0.2965000    
 H   0.7676000      0.7997000       1.408300    
 H    2.254400       2.998200       1.524100    
 H    3.623300       3.065100      0.4056000    
 H  -8.9599997E-02   3.134200      -2.544200    
 H  -0.4942000       4.422600      -1.410400    
 H   -2.006200       1.774100      -1.729300    
 H   -2.498300       3.359500      -2.243100    
 H   -2.047400       2.625900      0.6927000    
 H   -2.555600       4.203000      8.7399997E-02
 H   -4.630000       3.172600     -0.8576000    
 H   -4.494700       2.942100      0.8916000    
 H    2.530800     -0.8034000      -1.621500    
 H   -4.299000      0.9165000      -1.229300    
 H    6.627000      -2.905600      0.2986000    
 H    3.491400      -2.817800      -2.643800    
 H    5.522200      -3.864900      -1.708200    
 H   -6.465300      -1.013500      0.5310000    
 H   -2.482600      -3.808900     -0.4453000    
 H   -6.738500      -3.391300     -9.6199997E-02
 H   -4.745700      -4.786000     -0.5835000    
 H   -1.752300     -0.3971000      0.6270000    
 H   -1.087900      -1.894200      2.2399999E-02


%chk=000127912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127912

0 1
S 5.315972 -0.577856 1.693531
O -3.011109 0.820519 1.873861
N 0.058566 2.928788 -0.717389
N 2.215880 1.123125 -0.073541
N 4.049356 0.694963 1.368102
N -4.074306 1.305972 -0.118026
N -1.764541 -1.494797 2.119261
C 0.001589 1.503420 -1.117891
C 1.463717 3.397934 -0.652661
C 0.806706 0.645751 -0.129861
C 2.288662 2.548861 0.329677
C -0.797113 3.822842 -1.535450
C -2.304466 3.490918 -1.431797
C 3.222939 0.263428 0.387316
C -2.826828 3.493139 0.022554
C 3.490194 -1.070522 -0.181808
C -4.168592 2.743604 0.209805
C 4.602794 -1.694621 0.458533
C 2.875726 -1.731786 -1.278777
C 5.067015 -2.971268 0.074496
C 3.332522 -3.003728 -1.670741
C 4.412954 -3.627926 -0.988335
C -3.475497 0.404152 0.745755
C -3.365940 -1.020154 0.308247
C -2.476334 -1.915783 1.013893
C -4.110784 -1.531335 -0.792573
C -2.334024 -3.258091 0.534209
C -3.976702 -2.857000 -1.239135
C -3.066057 -3.717125 -0.568969
H -1.046875 1.159521 -1.096440
H 0.399353 1.349741 -2.155121
H 1.955656 3.362550 -1.658954
H 1.469557 4.449266 -0.308623
H 0.770112 -0.413911 -0.423568
H 0.339243 0.733022 0.875474
H 1.901323 2.684451 1.362085
H 3.345624 2.861806 0.324686
H -0.495501 3.807187 -2.616023
H -0.628776 4.855675 -1.170664
H -2.491481 2.501076 -1.894119
H -2.859760 4.226954 -2.047780
H -2.071734 3.027537 0.679426
H -2.956880 4.535975 0.375847
H -4.960676 3.180845 -0.427720
H -4.484088 2.830435 1.264563
H 2.070181 -1.244944 -1.836630
H -4.362307 0.996399 -1.044756
H 5.919611 -3.437798 0.578366
H 2.859327 -3.513256 -2.516748
H 4.754995 -4.620020 -1.302911
H -4.845254 -0.890867 -1.297194
H -1.645791 -3.932907 1.057884
H -4.571966 -3.223036 -2.081129
H -2.942607 -4.753019 -0.905210
H -1.977591 -0.551936 2.478192
H -1.138195 -2.133671 2.602584


