%chk=000049184.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049184

0 1
 S   -2.427600     -0.6977000     -0.1803000    
 O  -0.3253000     -0.8060000       2.272500    
 O   3.4000002E-02  0.2390000      -2.291400    
 O    2.893900      -2.772500     -0.3399000    
 N    1.344500      -1.712900      0.9873000    
 N    1.524400      -1.190500      -1.292400    
 C   0.1283000      0.2386000      0.1316000    
 C    1.041400       1.428800      0.4763000    
 C   -1.334200      0.7068000      0.1237000    
 C   0.9238000       2.503900     -0.6158000    
 C   0.3232000     -0.8055000       1.226500    
 C   0.5196000     -0.2350000      -1.264600    
 C   0.6870000       1.960600       1.863700    
 C    1.841800       3.696900     -0.3908000    
 C    1.995700      -1.937700     -0.2196000    
 C   -4.011700      0.1740000     -0.1271000    
 C   -5.158800     -0.7908000     -0.3596000    
 H    2.088100       1.094500      0.5093000    
 H   -1.543100       1.437100     -0.6618000    
 H   -1.650300       1.129600       1.079900    
 H  -9.2699997E-02   2.898800     -0.6987000    
 H    1.211100       2.113700      -1.594900    
 H  -0.2949000       2.438500       1.910800    
 H    1.406000       2.739100       2.146700    
 H   0.7697000       1.221300       2.662000    
 H    1.807900       4.366000      -1.257300    
 H    2.879300       3.376500     -0.2531000    
 H    1.537800       4.280900      0.4828000    
 H    1.589400      -2.333300       1.754000    
 H    1.902000      -1.425800      -2.206000    
 H   -4.128800      0.6534000      0.8498000    
 H   -4.024100      0.9503000     -0.8986000    
 H   -5.086900      -1.272700      -1.340600    
 H   -5.191600      -1.569900      0.4097000    
 H   -6.111700     -0.2522000     -0.3252000    


%chk=000049184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049184

0 1
S -2.752493 -0.522630 0.821192
O 0.004964 -0.688290 2.721398
O -0.736568 0.351887 -1.885348
O 2.332802 -2.896585 -0.633513
N 1.258503 -1.672945 1.047196
N 0.858952 -1.180488 -1.226647
C -0.068562 0.377993 0.496389
C 1.046131 1.550371 0.552581
C -1.477765 0.887341 0.858698
C 0.627851 2.783215 -0.301975
C 0.354081 -0.697042 1.515242
C -0.059214 -0.149946 -0.949343
C 1.387244 1.972287 2.002378
C 1.835146 3.662062 -0.700495
C 1.549784 -1.975942 -0.293566
C -3.787886 0.005001 -0.688621
C -4.826479 -1.086324 -0.982261
H 1.963480 1.119437 0.096373
H -1.809085 1.646214 0.135702
H -1.487916 1.298661 1.878180
H -0.096925 3.391723 0.274064
H 0.110685 2.456507 -1.222412
H 0.489244 2.309158 2.549293
H 2.103060 2.812671 1.977434
H 1.848666 1.159824 2.587733
H 1.503161 4.525126 -1.305322
H 2.560355 3.087108 -1.306741
H 2.371279 4.060772 0.179816
H 1.646501 -2.318814 1.742574
H 0.970549 -1.453011 -2.208678
H -4.274389 0.963655 -0.438431
H -3.092390 0.153113 -1.530519
H -4.339046 -2.046283 -1.228727
H -5.496237 -1.250928 -0.119104
H -5.450283 -0.789101 -1.845638


