%chk=000036296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036296

0 1
 S    2.812600       1.165800     -6.2899999E-02
 S   0.3125000       2.914100     -0.2296000    
 O    4.701200      -2.231600     -0.3872000    
 O    5.320000     -0.2693000      0.5780000    
 N   0.2330000      0.3902000     -1.8400000E-02
 N   -1.221000       2.245100     -0.1892000    
 C   -2.175000      4.3499999E-02 -1.5100000E-02
 C   -1.044000      0.9267000     -7.6800004E-02
 C   -2.020100      -1.310000     -0.3147000    
 C   -3.428200      0.5391000      0.3448000    
 C   -3.118300      -2.167900     -0.2545000    
 C   -4.526400     -0.3187000      0.4051000    
 C    1.085900       1.388200     -9.3000002E-02
 C   -4.371500      -1.672200      0.1054000    
 C    2.990600     -0.6433000      8.4500000E-02
 C    4.448900     -0.9998000      0.1235000    
 H   -1.057600      -1.724700     -0.6042000    
 H   -3.584500       1.586200      0.5926000    
 H   -2.998400      -3.221500     -0.4891000    
 H   -5.502100      6.6399999E-02  0.6871000    
 H   -5.226600      -2.340200      0.1524000    
 H    2.526100      -1.110700     -0.7891000    
 H    2.513500      -1.005400      0.9994000    
 H    5.655700      -2.454900     -0.3495000    


%chk=000036296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036296

0 1
S 2.946298 1.305547 0.042480
S 0.366341 3.127606 0.205159
O 4.507046 -2.417991 -0.210020
O 5.464027 -0.297663 -0.107151
N 0.285461 0.485698 0.050060
N -1.241146 2.315201 0.190488
C -2.182239 0.047037 0.075505
C -1.036756 0.978997 0.106950
C -1.955994 -1.352473 -0.009413
C -3.513468 0.541925 0.129838
C -3.048511 -2.244701 -0.039857
C -4.599748 -0.354516 0.099211
C 1.163585 1.475623 0.090335
C -4.372444 -1.750008 0.014198
C 3.002470 -0.581392 -0.070931
C 4.450012 -1.023411 -0.127605
H -0.926269 -1.720268 -0.049944
H -3.674713 1.622460 0.195283
H -2.868283 -3.323287 -0.105495
H -5.624094 0.031506 0.141299
H -5.220008 -2.444011 -0.009554
H 2.455056 -0.904640 -0.970167
H 2.491964 -1.009753 0.805801
H 5.457715 -2.712384 -0.246969


