%chk=000040314.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040314

0 1
 S    1.265800       2.091800      0.7647000    
 O   -5.752300      -1.760900     -2.6799999E-02
 O   -3.720400      -1.810900      0.9881000    
 N   0.7106000      0.3181000      -1.174400    
 C    1.856600       1.061800     -0.6358000    
 C  -0.4912000      0.6418000     -0.5551000    
 C  -0.4010000       1.553600      0.5074000    
 C    2.910900      0.1241000     -0.1520000    
 C   -1.747400      0.1374000     -0.8896000    
 C   0.7850000     -0.4038000      -2.426500    
 C   -2.877500      0.5417000     -0.1708000    
 C   -1.513600       1.964400       1.231200    
 C   -2.760700       1.450100      0.8851000    
 C    4.252500      0.5034000     -0.1908000    
 C    2.554900      -1.132000      0.3394000    
 C   -4.218700     -2.9000000E-03 -0.5337000    
 C    5.238600     -0.3733000      0.2617000    
 C    3.541000      -2.008600      0.7920000    
 C    4.882800      -1.629200      0.7531000    
 C   -4.515800      -1.266700      0.2327000    
 H    2.244400       1.729600      -1.414500    
 H   -1.856900     -0.5743000      -1.703700    
 H    1.823100     -0.5393000      -2.748200    
 H   0.2643000      0.1431000      -3.219800    
 H   0.3403000      -1.399900      -2.330900    
 H   -1.425000       2.671900       2.049600    
 H   -3.638100       1.763100       1.445300    
 H    4.543300       1.479300     -0.5708000    
 H    1.521100      -1.458400      0.4051000    
 H   -4.264300     -0.2238000      -1.606200    
 H   -4.999200      0.7343000     -0.3123000    
 H    6.283300     -7.7900000E-02  0.2319000    
 H    3.264300      -2.985000       1.179000    
 H    5.650500      -2.311400       1.106600    
 H   -5.925900      -2.590400      0.4672000    


%chk=000040314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040314

0 1
S 1.208290 1.861946 1.162776
O -5.534082 -1.555827 0.442297
O -4.150440 -2.072580 -1.347948
N 0.597808 0.076712 -0.787271
C 1.786436 0.864797 -0.397214
C -0.635981 0.562557 -0.325898
C -0.536719 1.512557 0.732807
C 3.011137 0.028078 -0.082381
C -1.911164 0.172739 -0.790622
C 0.685650 -0.769268 -1.981756
C -3.076048 0.704385 -0.173997
C -1.677973 2.039943 1.345884
C -2.959676 1.625490 0.890649
C 4.283906 0.441718 -0.543667
C 2.901215 -1.157315 0.687815
C -4.461344 0.294838 -0.683962
C 5.437444 -0.316464 -0.237988
C 4.049829 -1.918863 0.986465
C 5.322304 -1.499313 0.526627
C -4.669621 -1.208955 -0.605514
H 2.039310 1.627720 -1.165336
H -2.015468 -0.545204 -1.610138
H 1.708077 -1.169881 -2.073125
H 0.433250 -0.217621 -2.913527
H -0.003757 -1.626893 -1.887871
H -1.591525 2.763770 2.162498
H -3.859049 2.031734 1.365744
H 4.372453 1.357945 -1.141374
H 1.912676 -1.466934 1.044520
H -4.569569 0.579297 -1.747601
H -5.247580 0.800417 -0.103138
H 6.418994 0.012036 -0.597107
H 3.958956 -2.834765 1.581050
H 6.214458 -2.090021 0.762938
H -5.616899 -2.547976 0.483565


