%chk=000066471.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066471

0 1
 S  -0.2737000       1.037500     -0.7652000    
 O  -0.7664000       1.669000      -1.975900    
 O  -0.1368000       1.829700      0.4433000    
 O   -3.995100       1.362500       1.404000    
 O   -2.164300       2.194800      0.5241000    
 N    1.226100      0.2138000      -1.093500    
 N   -2.921900       1.227100      0.7706000    
 C    1.871100      0.5121000      -2.410600    
 C   -1.381400     -0.2942000     -0.3888000    
 C    2.095200     -4.4999998E-03  1.7999999E-02
 C   -2.551000     -6.8999998E-02  0.3164000    
 C    2.801600     -0.6122000      -2.833300    
 C   -1.032500      -1.561900     -0.8250000    
 C    2.974700      0.9993000      0.4236000    
 C    2.064200      -1.221600      0.6989000    
 C   -3.397600      -1.142300      0.5937000    
 C   -1.879200      -2.635100     -0.5477000    
 C   -3.061700      -2.425400      0.1616000    
 C    3.823400      0.7860000       1.509900    
 C    2.912900      -1.434700       1.785200    
 C    3.792500     -0.4309000       2.190600    
 H    1.098300      0.5940000      -3.182100    
 H    2.406900       1.466100      -2.370700    
 H    3.665700     -0.6983000      -2.167200    
 H    2.279800      -1.575100      -2.836400    
 H    3.180900     -0.4271000      -3.843400    
 H  -0.1491000      -1.765100      -1.419100    
 H    3.007100       1.956900     -8.9199997E-02
 H    1.402300      -2.024600      0.3934000    
 H   -4.328100      -1.022200       1.142700    
 H   -1.623300      -3.632600     -0.8930000    
 H   -3.721700      -3.261200      0.3751000    
 H    4.507000       1.568200       1.826800    
 H    2.891800      -2.383700       2.313100    
 H    4.453700     -0.5972000       3.036000    


%chk=000066471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066471

0 1
S -0.204697 0.766020 0.302517
O -0.465729 2.137752 -0.545599
O 0.076777 0.782410 1.902150
O -4.690591 1.523887 0.088690
O -2.717453 1.856454 1.189254
N 1.437818 -0.324300 -0.596078
N -3.496596 1.173021 0.429248
C 1.487399 0.230836 -1.980985
C -1.626940 -0.476453 -0.104411
C 2.561272 -0.125195 0.250900
C -2.999117 -0.141151 -0.066388
C 2.363745 -0.677474 -2.872416
C -1.224336 -1.761492 -0.510062
C 3.669681 0.721236 -0.063528
C 2.568393 -0.840818 1.486468
C -3.973278 -1.087671 -0.453234
C -2.200959 -2.716932 -0.878485
C -3.571970 -2.377801 -0.855998
C 4.763175 0.810013 0.817721
C 3.657380 -0.728630 2.370687
C 4.761961 0.091483 2.038836
H 0.454624 0.229294 -2.373990
H 1.832987 1.282962 -2.020785
H 3.416529 -0.682462 -2.543035
H 1.992994 -1.717190 -2.852274
H 2.325836 -0.313829 -3.915211
H -0.153340 -1.985794 -0.551711
H 3.678354 1.302419 -0.990953
H 1.713020 -1.476823 1.731963
H -5.025570 -0.791852 -0.419869
H -1.883830 -3.718155 -1.187274
H -4.328068 -3.114049 -1.145665
H 5.614789 1.449862 0.561570
H 3.645783 -1.276963 3.318437
H 5.611356 0.175485 2.725409


