%chk=000037386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037386

0 1
 S   -2.223500       2.481400     -0.6329000    
 O   -3.342900       2.824500      0.2306000    
 O  -0.9960000       3.260200     -0.5758000    
 O   -3.102400      -3.566900       1.021400    
 O   -4.708200      -1.962300       1.136100    
 N    1.031100      -1.559200     -0.6775000    
 N   -2.767600       2.427800      -2.250800    
 C  -0.5446000      0.3059000     -0.6348000    
 C  -0.2313000      -1.049800     -0.4162000    
 C   -1.821400      0.7988000     -0.3651000    
 C   0.5179000       1.218200      -1.163700    
 C    1.397300      -2.939400     -0.4692000    
 C    2.836500      -3.190300     -0.9112000    
 C   -1.242400      -1.893400      8.1799999E-02
 C   -2.808600     -5.4600000E-02  0.1278000    
 C   -2.519000      -1.400700      0.3514000    
 C    1.552100       1.597400     -0.1236000    
 C    3.851100      -2.369000     -0.1114000    
 C    1.131400       1.968600       1.140900    
 C    2.892900       1.563200     -0.4624000    
 C    5.277800      -2.689200     -0.5295000    
 C   -3.548800      -2.290600      0.8640000    
 C    2.083600       2.317700       2.098700    
 C    3.844900       1.912200      0.4955000    
 C    3.440100       2.289400       1.775900    
 H    1.030500      0.6570000      -1.960800    
 H   0.2010000       2.064500      -1.771800    
 H    1.295200      -3.207500      0.5892000    
 H   0.7460000      -3.597800      -1.056400    
 H    1.726700     -0.9545000      -1.090800    
 H    2.940600      -2.956000      -1.978100    
 H    3.058800      -4.258000     -0.7946000    
 H   -1.021000      -2.941500      0.2593000    
 H   -3.807800      0.3218000      0.3316000    
 H    3.735900      -2.577900      0.9586000    
 H    3.683500      -1.297800     -0.2512000    
 H   8.7700002E-02   1.996200       1.432400    
 H    3.219800       1.272600      -1.456400    
 H    5.436000      -2.462100      -1.588600    
 H    5.986400      -2.094200      5.5100001E-02
 H    5.506800      -3.747100     -0.3661000    
 H   -2.167600       2.849700      -2.970100    
 H   -3.772700       2.555000      -2.420800    
 H    1.769000       2.609700       3.096500    
 H    4.901400       1.889400      0.2445000    
 H    4.181600       2.560400       2.521800    
 H   -3.804200      -4.159000       1.366800    


%chk=000037386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037386

0 1
S -2.570517 2.487065 -0.435719
O -4.117597 2.537163 0.066569
O -1.466440 3.493894 0.212167
O -3.227145 -3.826664 0.814682
O -4.907202 -2.226158 0.892743
N 0.988500 -1.490848 -0.622437
N -2.463213 2.825719 -2.251480
C -0.657016 0.326045 -0.605131
C -0.311394 -1.063504 -0.390043
C -1.993658 0.675316 -0.327401
C 0.385316 1.273567 -1.187805
C 1.417703 -2.889118 -0.463060
C 2.913756 -3.057244 -0.797529
C -1.319308 -1.983783 0.019413
C -3.004072 -0.200310 0.092616
C -2.645012 -1.559972 0.248415
C 1.591044 1.562636 -0.285929
C 3.874891 -2.401609 0.224000
C 1.410312 2.024580 1.043553
C 2.910883 1.420559 -0.787417
C 5.357789 -2.626352 -0.141888
C -3.706812 -2.512165 0.673978
C 2.527148 2.320771 1.854566
C 4.030503 1.724969 0.022346
C 3.841045 2.170413 1.349813
H 0.749120 0.825871 -2.135416
H -0.089036 2.230185 -1.459834
H 1.232611 -3.242540 0.576389
H 0.811754 -3.530210 -1.135357
H 1.723345 -0.780775 -0.648608
H 3.108906 -2.653888 -1.812424
H 3.132103 -4.142154 -0.844978
H -1.080538 -3.038027 0.169431
H -4.019685 0.145681 0.305783
H 3.670128 -2.820335 1.229870
H 3.683707 -1.312587 0.297653
H 0.394916 2.177292 1.424340
H 3.064030 1.093532 -1.824928
H 5.593576 -2.189422 -1.130777
H 6.029213 -2.160223 0.601630
H 5.598908 -3.705264 -0.186231
H -2.347506 3.848841 -2.360606
H -3.321715 2.475524 -2.711132
H 2.373096 2.681432 2.877825
H 5.043142 1.617857 -0.383244
H 4.705029 2.406047 1.981117
H -3.981007 -4.409009 1.100574


