%chk=000100705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100705

0 1
 S   -2.671200      -2.372500      0.1190000    
 O    2.959400       2.100000      0.1873000    
 N    2.803900      0.7224000      8.0100000E-02
 N   -3.730300      0.1661000      6.8599999E-02
 N  -0.7908000      0.2554000     -0.4966000    
 N   -1.411400     -4.8900001E-02  0.5452000    
 C    1.532900      0.1745000     -0.1463000    
 C   0.3994000      0.8778000     -0.2761000    
 C    1.476300      -1.293200     -0.2443000    
 C    3.927700     -7.7600002E-02  0.2003000    
 C    2.589400      -2.040400     -0.1217000    
 C   0.3822000       2.374900     -0.1875000    
 C    3.876500      -1.415600      0.1108000    
 C   -3.693400       1.622900      0.2130000    
 C   -5.045200     -0.3705000     -0.2825000    
 C   -2.605400     -0.6751000      0.2307000    
 H   0.5412000      -1.806600     -0.4332000    
 H    4.853100      0.4588000      0.3728000    
 H    2.551400      -3.121000     -0.2001000    
 H   0.9780000       2.836400     -0.9811000    
 H  -0.6381000       2.751100     -0.3313000    
 H   0.6957000       2.727800      0.8000000    
 H    4.759800      -2.034500      0.2056000    
 H   -3.787100       2.072100     -0.7797000    
 H   -2.765600       1.962800      0.6758000    
 H   -4.531100       1.939200      0.8419000    
 H   -5.665000     -0.3711000      0.6194000    
 H   -5.017200      -1.377400     -0.6989000    
 H   -5.505100      0.2830000      -1.031100    
 H    3.305000       2.333200     -0.6919000    


%chk=000100705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100705

0 1
S -3.357726 0.644478 -2.533754
O 3.349907 2.091529 0.057286
N 2.778271 0.775757 0.177467
N -3.657108 -0.129367 0.071768
N -0.718875 1.296289 -1.180218
N -1.458409 0.436485 -0.485411
C 1.435039 0.490331 -0.174080
C 0.642368 1.388637 -0.964733
C 0.992945 -0.807788 0.289098
C 3.649209 -0.095635 0.788956
C 1.849361 -1.706194 0.920336
C 1.248372 2.491927 -1.835398
C 3.216658 -1.359812 1.164687
C -3.268613 -0.215412 1.492621
C -5.067247 -0.403830 -0.242076
C -2.810983 0.343395 -0.920247
H -0.058574 -1.030758 0.095231
H 4.652230 0.298918 0.958526
H 1.473707 -2.688627 1.222033
H 2.137334 2.167733 -2.410078
H 0.461817 2.758947 -2.560596
H 1.465290 3.452757 -1.307537
H 3.915993 -2.046945 1.644897
H -3.827759 0.527441 2.096355
H -2.192288 -0.013479 1.580048
H -3.490130 -1.224717 1.889466
H -5.501379 -1.009014 0.572903
H -5.137869 -0.942559 -1.202290
H -5.648355 0.532454 -0.353786
H 2.701813 2.631060 -0.483274


