%chk=000051856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051856

0 1
 S  -1.4400000E-02  -2.374100      0.8290000    
 S   -1.904600       1.937900     -0.7459000    
 O    2.979800      -1.165700     -0.9228000    
 O   -1.458800      -3.466600      -1.097600    
 O   -3.831500       1.504100       1.012700    
 N    2.642300       2.156000      0.5462000    
 C    1.027600     -1.5900001E-02 -0.1531000    
 C   0.4615000       1.120700      0.4137000    
 C    2.399900     -6.7900002E-02 -0.3706000    
 C   0.1670000      -1.179200     -0.5285000    
 C   -1.002000       1.231800      0.6674000    
 C    3.156300       1.034600     -6.6000000E-03
 C    1.304700       2.169900      0.7426000    
 C    4.635100       1.030800     -0.2178000    
 C   -1.053700      -3.566600      5.4099999E-02
 C   -3.544400       1.917400     -0.1042000    
 C   -1.399900      -4.724400      0.9469000    
 C   -4.565000       2.457200      -1.065500    
 H  -0.8205000     -0.8628000     -0.8764000    
 H   0.6031000      -1.701800      -1.388500    
 H   -1.445500      0.2748000      0.9560000    
 H   -1.164800       1.890200       1.530300    
 H   0.9252000       3.085200       1.186500    
 H    4.875600      0.9228000      -1.280300    
 H    5.077400       1.973500      0.1229000    
 H    5.107100      0.2241000      0.3523000    
 H    3.938700      -1.052000      -1.011100    
 H   -1.944200      -4.374200       1.828300    
 H  -0.4929000      -5.256100       1.247700    
 H   -2.042100      -5.421800      0.4004000    
 H   -4.587100       1.851000      -1.975500    
 H   -4.342900       3.499700      -1.309500    
 H   -5.555000       2.416300     -0.6010000    


%chk=000051856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051856

0 1
S -0.134204 -2.261979 0.443327
S -1.864439 1.775390 -0.318142
O 3.145376 -0.856930 -1.350187
O -2.337508 -2.030415 -1.186937
O -3.349190 -0.057689 1.096347
N 2.994620 2.141390 0.832972
C 1.254768 0.124446 -0.220032
C 0.751998 1.150533 0.637278
C 2.643896 0.152825 -0.511597
C 0.397272 -0.946913 -0.841318
C -0.684422 1.228312 1.086188
C 3.492085 1.166858 0.020252
C 1.664305 2.119963 1.124260
C 4.973061 1.197459 -0.298041
C -1.878721 -2.553903 -0.146902
C -3.313642 0.665793 0.076176
C -2.670630 -3.431929 0.796711
C -4.381173 0.702779 -0.993949
H -0.552726 -0.556200 -1.245769
H 0.944752 -1.481526 -1.628196
H -1.091043 0.258511 1.424620
H -0.800348 1.964100 1.896594
H 1.309740 2.921094 1.783281
H 5.168416 1.303215 -1.384493
H 5.418874 2.066126 0.209403
H 5.498822 0.289676 0.061293
H 4.118081 -0.745366 -1.491212
H -3.283359 -2.764292 1.432372
H -2.022839 -4.042397 1.446007
H -3.352958 -4.080963 0.222621
H -4.211678 -0.168238 -1.655768
H -4.336875 1.621779 -1.600155
H -5.378311 0.597393 -0.534902


