%chk=000156874.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156874

0 1
 S   -2.263000     -4.1000001E-02 -0.6853000    
 O   0.8674000      0.7983000      -1.572600    
 O    3.778800      -1.805000     -0.3770000    
 O    3.468900      -3.184600       1.397500    
 O   -3.639500      -1.389700       1.104200    
 N    1.898900     -0.1068000      0.2885000    
 C    2.699400       1.045600      0.5886000    
 C    3.617800       1.446300     -0.5624000    
 C    1.867400       2.297900      0.8274000    
 C    3.841400       2.951200     -0.4043000    
 C    2.891800       3.413700      0.6981000    
 C    1.017600     -0.1524000     -0.7966000    
 C    2.078200      -1.229100       1.207100    
 C   0.1921000      -1.432800      -1.001600    
 C   -1.135400      -1.396200     -0.2225000    
 C  -1.9600000E-02  -1.715700      -2.494900    
 C    3.166400      -2.176100      0.7714000    
 C   -4.850400      0.5401000      0.2355000    
 C   -3.649400     -0.4214000      0.3505000    
 C   -5.400300      0.5574000      -1.198900    
 C   -4.457700       1.958300      0.6761000    
 C   -5.970800      4.1800000E-02   1.171100    
 H    3.322800      0.8618000       1.473900    
 H    4.568600      0.9039000     -0.5091000    
 H    3.210200       1.242000      -1.556500    
 H    1.072500       2.450400      9.2000000E-02
 H    1.394700       2.291200       1.815100    
 H    4.880600       3.180300     -0.1465000    
 H    3.616900       3.463900      -1.346300    
 H    2.429700       4.378700      0.4695000    
 H    3.444700       3.523700       1.638800    
 H    2.328000     -0.8461000       2.202900    
 H    1.156700      -1.801600       1.315000    
 H   0.7658000      -2.294500     -0.6478000    
 H  -0.9358000      -1.291800      0.8485000    
 H   -1.658900      -2.347700     -0.3692000    
 H  -0.5742000      -2.648700      -2.639700    
 H   0.9465000      -1.815100      -3.002700    
 H  -0.5658000     -0.9117000      -2.998300    
 H   -6.337500       1.122700      -1.256100    
 H   -4.702100       1.023100      -1.902700    
 H   -5.598500     -0.4593000      -1.557200    
 H   -3.991300       1.947100       1.668000    
 H   -5.333800       2.615200      0.7228000    
 H   -3.744700       2.420600     -1.4900000E-02
 H   -6.850600      0.6936000       1.123700    
 H   -5.634300      1.2900000E-02   2.214100    
 H   -6.292000     -0.9712000      0.9015000    
 H    4.482700      -2.436000     -0.6386000    


%chk=000156874-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156874

0 1
S -2.138003 0.282069 0.817223
O 0.747554 0.967096 -1.100697
O 3.026019 -3.025348 -0.327051
O 4.791927 -1.954562 0.746546
O -3.776619 -1.793241 0.079754
N 2.083607 -0.117997 0.448523
C 3.032550 1.044194 0.510185
C 3.640423 1.493606 -0.868062
C 2.401874 2.324158 1.144160
C 3.316986 3.007365 -0.995949
C 3.167413 3.489308 0.470960
C 0.965356 -0.064176 -0.391543
C 2.453430 -1.295204 1.261478
C -0.011516 -1.263395 -0.414673
C -0.989029 -1.221525 0.793603
C -0.760694 -1.309324 -1.762361
C 3.563430 -2.101361 0.578919
C -4.888126 0.414410 -0.031581
C -3.721769 -0.556131 0.255736
C -4.666818 0.942378 -1.485432
C -4.919790 1.606960 0.959005
C -6.221220 -0.374576 0.043451
H 3.861641 0.695451 1.152162
H 4.733112 1.322011 -0.854861
H 3.216778 0.915712 -1.704693
H 1.334906 2.377575 0.869824
H 2.481090 2.323220 2.246593
H 4.093078 3.562369 -1.552757
H 2.353760 3.128014 -1.521688
H 2.630118 4.450613 0.555616
H 4.165350 3.619526 0.935853
H 2.841699 -0.959246 2.237623
H 1.587397 -1.946368 1.437360
H 0.562048 -2.206271 -0.316442
H -0.464151 -1.194734 1.763498
H -1.664146 -2.096428 0.761123
H -1.519083 -2.111892 -1.748367
H -0.056784 -1.499154 -2.591205
H -1.254361 -0.343867 -1.958398
H -5.491124 1.630096 -1.749535
H -3.711495 1.489447 -1.571694
H -4.661366 0.110012 -2.211687
H -5.033729 1.262301 2.002103
H -5.782003 2.253429 0.712841
H -4.007050 2.225329 0.896249
H -7.057159 0.287421 -0.247149
H -6.409377 -0.742793 1.067932
H -6.205861 -1.246071 -0.631882
H 3.760625 -3.493207 -0.810513


