%chk=000127853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127853

0 1
 S   0.8320000      -1.978700     -0.4037000    
 O   0.6952000      -2.680600      0.9154000    
 N  -0.3799000     -0.7921000     -0.2340000    
 C    2.146100     -0.7606000     -0.1922000    
 C   -2.642200     -3.4299999E-02 -0.1079000    
 C    4.165600       1.119400      0.1338000    
 C   -1.660200      -1.089500     -0.2997000    
 C    2.628300     -0.4858000       1.081200    
 C    2.660900     -0.1070000      -1.304600    
 C    3.642200      0.4582000       1.244900    
 C    3.674900      0.8369000      -1.141000    
 C   -3.887900     -0.3326000      0.4444000    
 C   -2.338300       1.276400     -0.4758000    
 C    5.250900       2.127300      0.3095000    
 C   -2.152500      -2.516300     -0.5686000    
 C   -4.829500      0.6798000      0.6286000    
 C   -3.279900       2.288900     -0.2914000    
 C   -4.525600       1.990600      0.2610000    
 H    2.236000     -0.9830000       1.963500    
 H    2.287300     -0.3176000      -2.303100    
 H    4.017100      0.6691000       2.243000    
 H    4.075700       1.344000      -2.014600    
 H   -4.147400      -1.337400      0.7654000    
 H   -1.377800       1.533100     -0.9151000    
 H    5.203600       2.898800     -0.4666000    
 H    5.162800       2.638100       1.274400    
 H    6.229000       1.638700      0.2588000    
 H   -2.050200      -3.113800      0.3415000    
 H   -3.196500      -2.530800     -0.8920000    
 H   -1.574600      -2.973100      -1.376800    
 H   -5.797500      0.4491000       1.064000    
 H   -3.044000       3.309300     -0.5791000    
 H   -5.258400       2.779000      0.4055000    


%chk=000127853-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127853

0 1
S 0.898279 -2.022511 -1.180440
O 1.047949 -3.238708 -0.052061
N -0.557994 -0.759945 -0.948177
C 2.170657 -0.744509 -0.593141
C -2.695688 0.018319 -0.224280
C 4.153026 1.050281 0.285668
C -1.624493 -1.043859 -0.230497
C 3.007153 -1.127079 0.467243
C 2.285237 0.503260 -1.232614
C 3.996078 -0.218026 0.904080
C 3.282356 1.397181 -0.781719
C -3.914873 -0.177324 0.478538
C -2.499144 1.240982 -0.926229
C 5.243455 2.005631 0.737738
C -1.871576 -2.313343 0.573111
C -4.913015 0.822328 0.477042
C -3.494670 2.236423 -0.925716
C -4.708084 2.031724 -0.223743
H 2.861802 -2.109866 0.931841
H 1.605790 0.782231 -2.043867
H 4.655244 -0.497803 1.734586
H 3.382136 2.377360 -1.263168
H -4.093547 -1.106659 1.027886
H -1.556349 1.385128 -1.462488
H 4.953883 3.058702 0.575761
H 5.478198 1.875244 1.808540
H 6.179921 1.831977 0.172638
H -2.067661 -2.058550 1.630612
H -2.767448 -2.833014 0.185611
H -1.011266 -2.998179 0.536331
H -5.848411 0.656483 1.022838
H -3.329121 3.172875 -1.469932
H -5.482625 2.806744 -0.223293


