%chk=000047659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047659

0 1
 S    3.023300      -3.374200     -0.1783000    
 O    2.878800      0.1921000     -0.3991000    
 O    2.500100     -0.7812000       1.656300    
 O    2.932700      -3.631100       1.256300    
 O    2.406900      -4.386900      -1.031100    
 O    4.316000      -2.875900     -0.6402000    
 N    4.392400       3.563500     -0.1159000    
 C   -1.896900      -1.535900      2.3000000E-02
 C  -0.4540000      -1.144900     -0.3048000    
 C   -2.859900     -0.3761000     -0.2366000    
 C   0.5122000      -2.297900     -1.6000001E-02
 C    3.818800       2.373700     -0.7940000    
 C   -4.298400     -0.7557000      0.1231000    
 C    1.958800      -1.972600     -0.3969000    
 C   -5.263800      0.3950000     -0.1691000    
 C    3.399300       1.357000      0.2493000    
 C   -6.716100      8.0700003E-02  0.2014000    
 C    4.858000       4.604100      -1.143300    
 C    5.599700       3.169600      0.7458000    
 C    3.350500       4.225700      0.7958000    
 C    2.461700     -0.8087000      0.4333000    
 C   -7.692600       1.202600     -0.1585000    
 C   -9.123100      0.8414000      0.2442000    
 C   -10.10450       1.935600     -0.1446000    
 H   -2.191300      -2.401500     -0.5826000    
 H   -1.963900      -1.838900       1.075000    
 H  -0.3827000     -0.8621000      -1.362100    
 H  -0.1771000     -0.2639000      0.2858000    
 H   -2.807900     -8.7099999E-02  -1.293400    
 H   -2.553700      0.4966000      0.3529000    
 H   0.1746000      -3.182800     -0.5694000    
 H   0.4477000      -2.558000       1.048500    
 H    2.964600       2.688200      -1.406000    
 H    4.572600       1.953000      -1.470800    
 H   -4.354800      -1.020900       1.185700    
 H   -4.601800      -1.641000     -0.4486000    
 H    2.004700      -1.716500      -1.462800    
 H   -4.942100       1.288800      0.3796000    
 H   -5.212600      0.6438000      -1.236500    
 H    2.606300       1.742300      0.8965000    
 H    4.241300       1.022400      0.8610000    
 H   -7.023700     -0.8402000     -0.3097000    
 H   -6.773900     -0.1210000       1.278200    
 H    5.269500       5.466700     -0.6109000    
 H    3.992200       4.899700      -1.743000    
 H    5.622700       4.140600      -1.773300    
 H    5.265100       2.641600       1.642000    
 H    6.110000       4.088100       1.053400    
 H    6.270700       2.552500      0.1411000    
 H    3.754700       5.186700       1.130100    
 H    3.166400       3.598600       1.671100    
 H    2.435600       4.383300      0.2174000    
 H   -7.389900       2.128500      0.3453000    
 H   -7.648700       1.392200      -1.237800    
 H   -9.421300     -9.5600002E-02 -0.2404000    
 H   -9.175100      0.6779000       1.326800    
 H   -10.10110       2.099400      -1.227000    
 H   -9.852900       2.880800      0.3470000    
 H   -11.12010       1.657300      0.1536000    


%chk=000047659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047659

0 1
S 3.169133 -0.708199 -1.311138
O 2.609956 2.672732 -1.234529
O 1.739124 1.880684 0.792122
O 3.388217 -1.124060 0.269900
O 2.684125 -1.889157 -2.319435
O 4.449163 0.212369 -1.846072
N 5.674213 2.279441 0.555475
C -2.199928 -0.442462 -0.400343
C -1.034454 0.438484 -0.904298
C -3.577658 0.247535 -0.512698
C 0.334008 -0.277964 -0.763783
C 4.979200 2.851158 -0.713150
C -4.742071 -0.634598 -0.008087
C 1.486656 0.570860 -1.278786
C -6.122151 0.053167 -0.108799
C 3.601171 3.518443 -0.530824
C -7.285331 -0.833018 0.391689
C 6.797470 1.369932 0.048924
C 4.756574 1.429615 1.442915
C 6.247970 3.419141 1.380744
C 1.893702 1.727679 -0.445819
C -8.666342 -0.146237 0.296087
C -9.828871 -1.036081 0.792811
C -11.204995 -0.342524 0.695481
H -2.215598 -1.391833 -0.974701
H -2.013825 -0.721232 0.657499
H -1.208092 0.706352 -1.967018
H -1.017792 1.387352 -0.331036
H -3.763266 0.528846 -1.570618
H -3.560714 1.196472 0.063510
H 0.316976 -1.224693 -1.337074
H 0.514499 -0.531305 0.297668
H 5.716919 3.548843 -1.146736
H 4.830182 1.976182 -1.387353
H -4.552085 -0.921640 1.047453
H -4.761352 -1.581159 -0.587821
H 1.459173 0.814428 -2.352213
H -6.104212 0.997858 0.474469
H -6.311018 0.343501 -1.163756
H 3.573364 4.484989 -1.056767
H 3.286337 3.670338 0.518858
H -7.304293 -1.776264 -0.193719
H -7.094427 -1.126386 1.445470
H 7.328802 0.945678 0.915263
H 7.488827 1.963975 -0.570330
H 6.325863 0.575293 -0.556033
H 3.887210 2.019665 1.765711
H 5.350441 1.117129 2.318205
H 4.401186 0.531204 0.899337
H 6.769430 3.005099 2.257805
H 5.424536 4.068815 1.715793
H 6.954474 3.997891 0.764839
H -8.650216 0.795347 0.884476
H -8.857695 0.149591 -0.756949
H -9.844447 -1.975911 0.203662
H -9.636119 -1.332610 1.844271
H -11.434351 -0.062892 -0.350338
H -11.225589 0.583413 1.301072
H -12.018004 -0.999872 1.055512


