%chk=000005342.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005342

0 1
 S    3.614600      -1.737100      0.6817000    
 O   -1.081100      -3.191800     -1.7500000E-02
 O  -7.2499998E-02  9.6699998E-02   3.211100    
 O    4.239000      -1.250700       1.953100    
 N   -1.678700     -0.9025000      0.2525000    
 N   -1.286200      0.1087000       1.162900    
 C  -0.3411000      -1.897000       1.878800    
 C    1.135700      -2.233000       1.777900    
 C   -1.040300      -2.114000      0.5574000    
 C  -0.5555000     -0.4428000       2.226600    
 C    1.842900      -1.334700      0.7717000    
 C   -2.843800     -0.8354000     -0.5703000    
 C   -1.237500       1.500300      0.8457000    
 C   -3.045600      -1.781600      -1.577600    
 C   -1.012200       2.441600       1.852800    
 C   -3.786000      0.1760000     -0.3705000    
 C   -1.414400       1.925800     -0.4730000    
 C    4.046000     -0.5339000     -0.5910000    
 C   -4.183800      -1.716500      -2.381300    
 C  -0.9642000       3.800800       1.543100    
 C   -4.924200      0.2409000      -1.174100    
 C   -1.366300       3.285100     -0.7826000    
 C   -5.123100     -0.7054000      -2.179500    
 C   -1.141100       4.222500      0.2255000    
 C    4.440500      0.7462000     -0.2208000    
 C    3.980300     -0.8977000      -1.930700    
 C    4.773900       1.676600      -1.205100    
 C    4.313900      3.2900002E-02  -2.914800    
 C    4.710700       1.320000      -2.551900    
 H  -0.8389000      -2.510100       2.638100    
 H    1.261400      -3.284400       1.489700    
 H    1.603200      -2.121100       2.764600    
 H    1.764800     -0.2781000       1.045200    
 H    1.427900      -1.468900     -0.2322000    
 H   -2.326400      -2.557800      -1.810700    
 H  -0.9185000       2.176200       2.899200    
 H   -3.724200      0.8872000      0.4464000    
 H   -1.507100       1.240000      -1.308200    
 H   -4.334300      -2.446700      -3.171200    
 H  -0.7995000       4.532200       2.328900    
 H   -5.664900       1.017300      -1.006000    
 H   -1.485300       3.613000      -1.811200    
 H   -6.010100     -0.6557000      -2.804200    
 H   -1.101900       5.280600     -1.6000001E-02
 H    4.491800       1.049200      0.8211000    
 H    3.672200      -1.896700      -2.226900    
 H    5.081200       2.679400     -0.9229000    
 H    4.264300     -0.2445000      -3.963700    
 H    4.969800       2.044700      -3.318300    


%chk=000005342-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005342

0 1
S 3.786667 -2.165695 0.294633
O -1.351348 -3.185096 0.017033
O 0.283738 0.496620 2.719052
O 4.313837 -1.919726 1.866834
N -1.850305 -0.874140 0.226019
N -1.368198 0.224565 1.039331
C -0.223520 -1.742977 1.722256
C 1.243888 -2.205035 1.525577
C -1.159740 -2.065920 0.555230
C -0.376298 -0.236031 1.942951
C 1.929671 -1.520242 0.341694
C -3.155773 -0.818889 -0.378568
C -1.466693 1.580419 0.562983
C -3.416890 -1.628903 -1.512126
C -1.453058 2.632910 1.511554
C -4.172084 0.004737 0.167551
C -1.542138 1.861164 -0.824366
C 4.487076 -0.670429 -0.664742
C -4.705183 -1.614614 -2.088538
C -1.505631 3.969095 1.060770
C -5.448974 0.018412 -0.431191
C -1.610560 3.202107 -1.256626
C -5.723809 -0.790034 -1.558352
C -1.589995 4.261284 -0.320027
C 5.183529 0.275763 0.103268
C 4.352092 -0.575654 -2.062095
C 5.754023 1.386728 -0.560438
C 4.927919 0.541900 -2.713883
C 5.624260 1.519565 -1.963750
H -0.619957 -2.278711 2.608786
H 1.227642 -3.301762 1.384728
H 1.819513 -1.982800 2.443131
H 2.010666 -0.428320 0.464534
H 1.510402 -1.787148 -0.643296
H -2.631181 -2.271470 -1.914806
H -1.381369 2.404864 2.577210
H -3.968804 0.622660 1.046449
H -1.548901 1.045659 -1.553003
H -4.907999 -2.248118 -2.958722
H -1.485828 4.781999 1.794462
H -6.231408 0.658790 -0.009942
H -1.674263 3.417271 -2.328767
H -6.718293 -0.777295 -2.016649
H -1.639802 5.300410 -0.662108
H 5.265444 0.116842 1.186770
H 3.823566 -1.344092 -2.638579
H 6.300364 2.142239 0.014581
H 4.837615 0.643026 -3.800995
H 6.071491 2.379871 -2.474017


