%chk=000104220.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104220

1 1
 S    1.143200      -1.382900      -1.727800    
 O   -1.011500      -3.045000     -0.3287000    
 O   -2.191300       2.336200     -0.6001000    
 N   -3.972500      0.5683000      0.6217000    
 N   -4.909600      0.9250000       1.051900    
 C  -0.3966000     -0.8209000      -1.016500    
 C   -1.282000      -1.710600     -0.4074000    
 C   -1.901500       1.006500     -0.5319000    
 C  -0.7069000      0.5378000      -1.078500    
 C   -2.786500      0.1167000      7.7100001E-02
 C   -2.476600      -1.241900      0.1392000    
 C    2.327400     -0.4537000     -0.7738000    
 C    4.181900       1.000100      0.7196000    
 C    2.381900     -0.6078000      0.6114000    
 C    3.199900      0.4274000      -1.412400    
 C  -0.9297000      -3.612100      0.9766000    
 C    3.309200      0.1190000       1.358100    
 C    4.127300       1.154200     -0.6657000    
 C   -1.276700       3.231600      2.8899999E-02
 C    5.172900       1.777300       1.518000    
 C   2.7899999E-02  -4.784300      0.9457000    
 C   -2.030100       4.459200      0.4946000    
 H  -3.2000002E-02   1.238100      -1.565700    
 H   -3.176400      -1.930000      0.6072000    
 H    1.716700      -1.293700       1.130300    
 H    3.171900      0.5610000      -2.491000    
 H  -0.5718000      -2.874000       1.705300    
 H   -1.925000      -3.954700       1.279800    
 H    3.344100     -1.2100000E-02   2.436400    
 H    4.803000       1.836400      -1.174800    
 H  -0.7919000       2.757100      0.8913000    
 H  -0.5064000       3.520200     -0.6946000    
 H    5.391000       2.741800       1.046800    
 H    4.790900       1.991000       2.522100    
 H    6.106200       1.213100       1.610500    
 H   0.1043000      -5.253100       1.930800    
 H  -0.3045000      -5.535300      0.2215000    
 H    1.025000      -4.458300      0.6313000    
 H   -1.355200       5.174300      0.9732000    
 H   -2.525500       4.951000     -0.3490000    
 H   -2.814600       4.182400       1.206700    


%chk=000104220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104220

1 1
S 1.553410 -1.810123 0.277758
O -0.809580 -3.358951 0.197196
O -2.034929 2.113672 0.259033
N -4.006758 0.333009 0.184434
N -5.083004 0.787699 0.167641
C -0.094480 -1.089603 0.251052
C -1.196910 -2.036767 0.209995
C -1.657845 0.797753 0.246219
C -0.342683 0.300189 0.268747
C -2.743975 -0.156911 0.205442
C -2.513331 -1.573532 0.187368
C 2.629305 -0.304383 0.335380
C 4.455237 1.867067 0.428731
C 3.040919 0.206918 1.587055
C 3.120848 0.245276 -0.870305
C -1.855665 -4.425724 0.159241
C 3.944749 1.291800 1.623788
C 4.024179 1.329886 -0.814277
C -0.978901 3.185461 0.300414
C 5.465496 2.995913 0.479846
C -1.126058 -5.761928 0.157737
C -1.708967 4.520120 0.304214
H 0.507297 0.986227 0.301040
H -3.364555 -2.256705 0.156428
H 2.675152 -0.240090 2.517205
H 2.816925 -0.171850 -1.835901
H -2.501394 -4.309757 1.052533
H -2.460319 -4.285418 -0.758942
H 4.269671 1.684545 2.593806
H 4.410981 1.752313 -1.748461
H -0.379653 3.033614 1.217954
H -0.337343 3.062327 -0.592530
H 5.396519 3.648929 -0.406855
H 5.337342 3.619875 1.380706
H 6.495924 2.592386 0.507305
H -1.863555 -6.583635 0.128694
H -0.471367 -5.854053 -0.724385
H -0.513423 -5.879472 1.066617
H -0.968171 5.339017 0.332031
H -2.321139 4.643064 -0.604355
H -2.360048 4.617139 1.188499


