%chk=000125758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125758

0 1
 S    3.552200      0.5241000       1.461800    
 O   -4.773800       1.133300      9.4999997E-03
 N    2.232600     -4.6999998E-02 -0.6710000    
 N    1.185100     -0.8300000       1.209900    
 C    1.217000     -0.8522000      -1.276200    
 C   0.3752000      -1.229500     -1.2500000E-02
 C    3.478100      0.3804000      -1.247000    
 C    2.179600     -0.1841000      0.6754000    
 C    4.166800       1.200100     -0.1422000    
 C   -1.000700     -0.5981000     -6.2000002E-03
 C   -2.138800      -1.404300      2.9600000E-02
 C   -1.131400      0.7906000     -3.7200000E-02
 C   -3.406400     -0.8222000      3.4400001E-02
 C   -2.399000       1.372600     -3.2200001E-02
 C   -3.536600      0.5662000      3.7000000E-03
 H   0.2731000      -2.322200      1.4300000E-02
 H    1.656300      -1.753700      -1.717700    
 H   0.6540000     -0.3143000      -2.044700    
 H    3.327900      0.9807000      -2.149600    
 H    4.090400     -0.4902000      -1.509300    
 H    5.256600       1.142300     -0.2057000    
 H    3.861300       2.249900     -0.2000000    
 H   -2.053900      -2.487300      5.3900000E-02
 H  -0.2589000       1.437300     -6.3900001E-02
 H   -4.289000      -1.455500      6.2500000E-02
 H   -2.486900       2.455500     -5.5900000E-02
 H   -4.676800       2.100800     -1.4700000E-02


%chk=000125758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125758

0 1
S 3.669827 0.986345 1.259175
O -4.835457 1.163637 -0.299355
N 2.197785 -0.034524 -0.741828
N 1.269723 -0.526724 1.344528
C 1.230102 -1.108761 -1.062217
C 0.401723 -1.195565 0.297931
C 3.495160 0.188261 -1.391695
C 2.217800 0.066235 0.667260
C 4.172326 1.305342 -0.561754
C -0.979518 -0.546984 0.189906
C -2.033471 -1.244439 -0.457013
C -1.237594 0.748918 0.692329
C -3.307690 -0.665317 -0.616004
C -2.510139 1.343575 0.544260
C -3.542805 0.635517 -0.114643
H 0.271275 -2.254488 0.585514
H 1.759381 -2.064125 -1.272754
H 0.590081 -0.848020 -1.920898
H 3.365740 0.521104 -2.437063
H 4.118455 -0.735434 -1.391107
H 5.269605 1.270149 -0.625068
H 3.798075 2.301562 -0.840503
H -1.861115 -2.259833 -0.837175
H -0.442777 1.280208 1.224649
H -4.124580 -1.200356 -1.109322
H -2.696000 2.349154 0.945179
H -4.901912 2.067761 0.096668


