%chk=000126481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126481

1 1
 S   -3.320300       1.749700      0.1864000    
 O  -0.7463000      0.9758000      0.2821000    
 N    2.787600     -7.1800001E-02 -9.8999999E-03
 N   -2.334900     -0.8112000     -0.1678000    
 C    1.623400      0.6791000      0.5238000    
 C    2.617000      -1.579000      0.2240000    
 C    2.941400      0.1629000      -1.518800    
 C    4.085100      0.3742000      0.6776000    
 C   0.3671000      0.2347000     -0.1991000    
 C   -1.980400      0.6136000     -0.3546000    
 C   -2.466700      -1.195700       1.240100    
 C   -3.572900      -1.132300     -0.8838000    
 H    1.544700      0.4967000       1.602600    
 H    1.798700       1.752700      0.3823000    
 H    3.568800      -2.067700     -8.3999997E-03
 H    2.359400      -1.739000       1.275000    
 H    1.847800      -1.977700     -0.4416000    
 H    3.915900     -0.2314000      -1.824800    
 H    2.162500     -0.3753000      -2.064200    
 H    2.896400       1.239200      -1.708600    
 H    4.919500     -0.2000000      0.2644000    
 H    4.221100       1.442500      0.4854000    
 H    3.982600      0.1858000       1.750300    
 H   0.4260000      0.4185000      -1.274900    
 H   0.1763000     -0.8266000     -2.8800000E-02
 H   -1.852700      0.8036000      -1.427400    
 H   -2.594500      -2.281900       1.315700    
 H   -3.320300     -0.7287000       1.742400    
 H   -1.560500     -0.9561000       1.806300    
 H   -3.518000     -0.8116000      -1.930500    
 H   -4.476600     -0.7102000     -0.4315000    
 H   -3.705700      -2.220600     -0.9084000    
 H   -3.167700       1.553900       1.503700    


%chk=000126481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126481

1 1
S -3.179729 2.051495 0.443618
O -0.749427 0.887079 0.246903
N 2.874510 -0.121962 -0.088909
N -2.506527 -0.733314 -0.023807
C 1.543850 0.527726 0.360089
C 2.820430 -1.640596 0.073379
C 3.185896 0.228937 -1.544015
C 3.988091 0.434167 0.802720
C 0.283907 0.049315 -0.377683
C -2.106775 0.618562 -0.284303
C -2.687846 -1.095854 1.400280
C -3.591396 -1.232269 -0.901941
H 1.433802 0.321395 1.438352
H 1.655328 1.616702 0.222525
H 3.815989 -2.056780 -0.144619
H 2.531689 -1.879499 1.108168
H 2.082890 -2.058576 -0.626104
H 4.175735 -0.176505 -1.803778
H 2.422689 -0.211416 -2.200847
H 3.187720 1.323920 -1.654855
H 4.952572 0.010998 0.482868
H 4.009833 1.530372 0.708128
H 3.784437 0.155198 1.847678
H 0.326728 0.250986 -1.469062
H 0.052906 -1.021140 -0.216243
H -2.150030 0.806296 -1.374097
H -2.678526 -2.194244 1.501630
H -3.648532 -0.713686 1.808488
H -1.860853 -0.678471 1.999170
H -3.343553 -1.041830 -1.960679
H -4.567909 -0.752445 -0.675162
H -3.696573 -2.321586 -0.763899
H -2.737525 1.883126 1.745006


