%chk=000160286.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160286

0 1
 S   -1.162900      -1.384600     -0.7139000    
 O    4.166100     -0.9674000     -0.6624000    
 O    1.068400     -0.7779000       2.149100    
 O    5.445100       3.894500      0.1235000    
 O    3.922100       5.003800      -1.147700    
 O    1.998600      -5.015800      -1.196900    
 O    1.836800      -2.912200      -2.031300    
 O   -1.532600       1.500200      0.5972000    
 N    2.379300      -1.869700      0.5491000    
 N   -2.813700     -0.8756000     -0.7857000    
 N   7.7299997E-02  -3.434000       2.587800    
 N    1.884800       3.448900     -0.2570000    
 N   -5.501300       1.170500     -0.3095000    
 N   -4.962000      -1.000400      -1.251200    
 N   -3.645800       2.406100      0.6338000    
 N   -5.834300       3.246100      0.6253000    
 C    3.629200       1.686600     -0.1648000    
 C    2.716600      0.6046000      0.4233000    
 C   0.1672000      -2.815900       1.262400    
 C    3.219600       3.110600      0.2351000    
 C    3.169000     -0.8020000      4.5899998E-02
 C    1.232800      -1.714700       1.361800    
 C   -1.203800      -2.231400      0.8989000    
 C    2.811000      -3.210200      0.1496000    
 C   -3.325700      0.2785000     -0.3276000    
 C    4.191900       4.112300     -0.3556000    
 C   -4.659300      0.1734000     -0.6297000    
 C   -3.801800      -1.621800      -1.330800    
 C    2.170700      -3.675100      -1.133000    
 C   -2.724600       1.407300      0.3284000    
 C   -4.918900       2.265600      0.3261000    
 H    4.658800       1.493200      0.1639000    
 H    3.648100       1.596300      -1.259900    
 H    1.688500      0.7346000      7.1300000E-02
 H    2.749900      0.7024000       1.512700    
 H   0.3973000      -3.600200      0.5470000    
 H    3.231300       3.233500       1.323800    
 H   -1.953900      -3.029700      0.8589000    
 H   -1.529700      -1.505000       1.653200    
 H    2.567900      -3.913300      0.9535000    
 H    3.896900      -3.240000      9.2000002E-03
 H   0.9867000      -3.804200       2.860400    
 H  -0.1754000      -2.735500       3.285700    
 H    1.815600       3.231800      -1.250800    
 H    1.186000       2.871300      0.2074000    
 H   -3.648500      -2.599100      -1.770100    
 H   -6.496500       1.153100     -0.5058000    
 H    6.092900       4.532800     -0.2443000    
 H    1.578900      -5.292300      -2.039300    
 H   -5.552100       4.102400       1.089700    
 H   -6.815500       3.143900      0.3904000    


%chk=000160286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160286

0 1
S -1.295602 -2.120252 -0.833568
O 3.982403 -0.905067 -0.589849
O 0.805561 -0.991640 2.148300
O 4.548466 4.404395 0.676054
O 3.485533 4.866875 -1.333880
O 3.152422 -4.666092 -1.781668
O 1.128323 -3.536789 -1.664445
O -0.811455 1.204082 -0.109770
N 2.247869 -1.951600 0.550380
N -2.835265 -1.185457 -0.668302
N 0.061468 -3.761061 2.768507
N 1.233850 3.433120 -0.418256
N -4.950731 1.619380 -0.169193
N -5.088582 -0.798589 -0.698498
N -2.732004 2.532132 0.109357
N -4.598970 3.914969 0.319105
C 3.178978 1.753747 -0.176254
C 2.370858 0.608491 0.462133
C 0.176656 -3.205023 1.407579
C 2.534224 3.147407 0.180083
C 2.946378 -0.746297 0.109847
C 1.104852 -1.954448 1.391341
C -1.242256 -2.764028 0.972765
C 2.859447 -3.214935 0.094896
C -3.000791 0.184912 -0.370727
C 3.516975 4.225986 -0.260825
C -4.394712 0.365824 -0.403312
C -4.104657 -1.719953 -0.855600
C 2.259579 -3.776206 -1.192366
C -2.080637 1.297399 -0.120611
C -4.058159 2.668301 0.084096
H 4.224359 1.716688 0.184779
H 3.204304 1.644820 -1.276283
H 1.304105 0.643407 0.160781
H 2.347201 0.710194 1.563636
H 0.521355 -4.002879 0.733206
H 2.456591 3.203318 1.283436
H -1.924969 -3.621351 1.065234
H -1.573137 -1.921016 1.601497
H 2.801387 -3.989205 0.880031
H 3.925917 -3.011509 -0.099268
H 0.777323 -4.445766 3.026109
H -0.079867 -3.038565 3.483414
H 1.281324 3.704905 -1.403554
H 0.468332 2.785515 -0.188167
H -4.259853 -2.765810 -1.106707
H -5.965387 1.733732 -0.203475
H 5.193082 5.075645 0.320813
H 2.756856 -5.047566 -2.612163
H -3.934985 4.666034 0.493882
H -5.596960 4.106128 0.322581


