%chk=000130282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130282

0 1
 S   -5.187600       2.169100      0.2672000    
 O   -1.120000      -2.028200     -0.2326000    
 O   0.1945000       1.761700      0.4918000    
 O   -6.366900       1.560300      0.8654000    
 O   -4.591700       3.348000      0.8793000    
 N    4.323900     -0.3967000      1.1700000E-02
 N   0.6660000     -8.1699997E-02 -0.8334000    
 N   -5.514200       2.508800      -1.374900    
 C    2.867200     -0.5234000      0.1578000    
 C    2.659700      -2.039400      0.1501000    
 C    4.882200      -1.432000      0.8853000    
 C    3.981000      -2.628900      0.6311000    
 C    2.085600      0.1596000     -0.9574000    
 C    4.826600      0.9261000      0.3621000    
 C    6.208600       1.148000     -0.2502000    
 C    6.745700       2.539300      8.7700002E-02
 C  -0.1999000      0.7451000     -0.1076000    
 C   -1.598900      0.3543000     -5.7200000E-02
 C   -1.985600     -0.9700000     -0.1266000    
 C   -3.411900      -2.826300     -9.6699998E-02
 C   -3.317800      -1.349800     -7.1199998E-02
 C   -1.980000      -3.155000     -0.5472000    
 C    8.136000       2.755100     -0.4884000    
 C   -2.601300       1.319000      5.9099998E-02
 C   -4.320000     -0.4053000      5.3800002E-02
 C   -3.953600      0.9418000      0.1129000    
 C   -1.427700      -4.399800      0.1280000    
 H    2.545400     -0.1338000       1.134600    
 H    1.835100      -2.330400      0.8103000    
 H    2.434900      -2.424700     -0.8519000    
 H    5.923700      -1.667800      0.6458000    
 H    4.823500      -1.150700       1.944700    
 H    4.403400      -3.274400     -0.1478000    
 H    3.850800      -3.233900       1.534100    
 H    2.388900     -0.2184000      -1.940600    
 H    2.248900       1.241700     -0.9556000    
 H    4.848100       1.081400       1.448500    
 H    4.171200       1.705500     -4.2800002E-02
 H    6.156900       1.031400      -1.340200    
 H    6.915400      0.3965000      0.1212000    
 H   0.2935000     -0.8947000      -1.314500    
 H    6.784900       2.669600       1.175500    
 H    6.069200       3.306200     -0.3071000    
 H   -4.153200      -3.202000     -0.8073000    
 H   -3.630900      -3.206900      0.9064000    
 H   -1.947800      -3.289200      -1.637100    
 H   -5.357300     -0.7191000      0.1038000    
 H   -2.330400       2.371600      9.9699996E-02
 H    8.845600       2.025200     -8.5800000E-02
 H    8.499500       3.756300     -0.2366000    
 H    8.127600       2.661100      -1.579100    
 H   -1.374800      -4.266100       1.214000    
 H   -2.044300      -5.276400     -9.0800002E-02
 H  -0.4052000      -4.594900     -0.2128000    
 H   -5.199000       3.413100      -1.746700    
 H   -6.413800       2.192900      -1.757500    


%chk=000130282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130282

0 1
S -4.714326 2.509644 0.453763
O -1.468272 -2.403198 -0.737149
O 0.508735 1.479295 -0.435545
O -6.083149 1.988491 1.168971
O -3.760689 3.655862 1.104988
N 4.434496 -0.402127 0.207725
N 0.798775 -0.801089 -0.822081
N -5.267020 3.056821 -1.220481
C 3.001812 -0.779803 0.408277
C 3.035327 -2.214523 1.016651
C 5.295160 -1.376752 0.921052
C 4.498669 -2.691878 0.808478
C 2.259621 -0.689144 -0.955388
C 4.737625 1.026742 0.433221
C 6.102567 1.454713 -0.143379
C 6.363466 2.968570 0.027366
C 0.023811 0.305526 -0.543127
C -1.457664 0.062940 -0.377438
C -2.115081 -1.186120 -0.470882
C -3.852467 -2.829302 -0.372046
C -3.510357 -1.350115 -0.281268
C -2.548019 -3.466292 -0.937507
C 7.738284 3.405337 -0.522981
C -2.278870 1.186666 -0.094390
C -4.313732 -0.237119 -0.007656
C -3.655790 1.009662 0.069788
C -2.081339 -4.750407 -0.262007
H 2.493751 -0.076339 1.105159
H 2.801383 -2.175560 2.096221
H 2.295344 -2.886693 0.544782
H 6.294172 -1.442973 0.454190
H 5.439270 -1.100493 1.997885
H 4.630980 -3.120954 -0.201543
H 4.814699 -3.445826 1.549953
H 2.626227 -1.486776 -1.626134
H 2.489733 0.286803 -1.416062
H 4.707381 1.277916 1.526887
H 3.939991 1.624732 -0.048377
H 6.133932 1.183399 -1.217208
H 6.917531 0.889335 0.352812
H 0.344571 -1.718661 -0.882272
H 6.293242 3.234562 1.102207
H 5.561384 3.537272 -0.485566
H -4.714986 -3.031739 -1.029277
H -4.087209 -3.240294 0.628581
H -2.614998 -3.590813 -2.034820
H -5.391807 -0.308800 0.167043
H -1.793890 2.164366 0.005677
H 8.559994 2.875830 -0.004374
H 7.900048 4.491124 -0.391597
H 7.823103 3.179039 -1.602606
H -1.958773 -4.597662 0.824253
H -2.828750 -5.549362 -0.420098
H -1.119915 -5.093584 -0.680642
H -4.672494 3.844860 -1.528411
H -6.265789 3.313695 -1.139316


