%chk=000028091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028091

0 1
 S    3.474700      -1.509000     -0.6318000    
 O    3.481300     -0.3988000      0.5806000    
 O    2.276000       2.928000      0.2853000    
 O    4.812400      -2.386200     -0.3155000    
 O    3.679400     -0.8501000      -1.909000    
 O    2.330600      -2.379700     -0.4351000    
 N    2.466600      0.6010000      0.4654000    
 C   -2.257100       1.527200     -0.9420000    
 C   -1.118100      0.8003000     -0.2582000    
 C   -1.599800     -0.3328000      0.4351000    
 C   -3.445600      0.6724000     -0.5547000    
 C   -3.033200     -0.4115000      0.2525000    
 C   0.2262000       1.128700     -0.2609000    
 C  -0.7298000      -1.151100       1.136100    
 C    1.103100      0.3035000      0.4457000    
 C   -4.773800      0.8537000     -0.8983000    
 C   -3.957400      -1.328500      0.7248000    
 C   0.6299000     -0.8251000       1.136900    
 C   -5.705100     -7.0699997E-02 -0.4220000    
 C   -5.301100      -1.151000      0.3814000    
 C    2.967700       1.912400      0.3738000    
 C    4.473000       2.067400      0.4100000    
 H   -2.119000       1.530000      -2.027100    
 H   -2.363200       2.541000     -0.5453000    
 H   0.5449000       1.974900     -0.8571000    
 H   -1.081400      -2.020100       1.682000    
 H   -5.087000       1.686400      -1.518200    
 H   -3.660700      -2.167300       1.345500    
 H    1.305600      -1.444200       1.723200    
 H   -6.755900      4.4399999E-02 -0.6746000    
 H   -6.045000      -1.857700      0.7400000    
 H    4.736100       3.127300      0.3476000    
 H    4.922900       1.547400     -0.4399000    
 H    4.868300       1.665100       1.346600    
 H    4.922600      -2.662900      0.6244000    


%chk=000028091-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028091

0 1
S 3.778189 -1.571493 -1.268207
O 3.021759 -0.548601 1.858712
O 2.482454 2.466888 0.122092
O 5.581326 -0.973580 -1.122834
O 2.915543 -0.057122 -1.097766
O 3.593250 -1.977379 -2.831747
N 2.381088 0.230151 1.047405
C -2.101331 1.006324 -1.307015
C -1.120021 0.506521 -0.256652
C -1.817341 -0.255422 0.739346
C -3.435459 0.471333 -0.804516
C -3.243856 -0.272236 0.404638
C 0.262195 0.684616 -0.195555
C -1.108958 -0.855692 1.811748
C 0.958374 0.088478 0.898665
C -4.721327 0.611588 -1.353474
C -4.339742 -0.877332 1.065515
C 0.281312 -0.689095 1.885377
C -5.817669 0.005511 -0.690192
C -5.627940 -0.732080 0.508336
C 3.152915 1.510693 0.529660
C 4.619239 1.458117 0.845322
H -1.852261 0.619410 -2.314298
H -2.096010 2.110691 -1.385246
H 0.814438 1.215355 -0.970274
H -1.631183 -1.440872 2.575187
H -4.880470 1.176504 -2.278470
H -4.197520 -1.447223 1.990258
H 0.866111 -1.135433 2.694114
H -6.826049 0.105470 -1.106680
H -6.491324 -1.191109 1.001671
H 5.069557 2.404698 0.510368
H 5.112368 0.609100 0.337854
H 4.772613 1.334641 1.932234
H 5.833829 -0.627021 -2.028378


