%chk=000150379.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150379

0 1
 S   -5.916500     -3.2400001E-02  0.4765000    
 O   2.8100001E-02  -2.511700      -2.195400    
 O   -7.235800      0.5095000      0.7432000    
 O   -5.671900     -0.8253000     -0.7120000    
 N   0.4870000      0.2851000      -1.163800    
 N    4.127000     -0.1038000      0.8758000    
 N   -4.766400       1.242200      0.6137000    
 C    1.717400      0.1263000     -0.4711000    
 C    2.157200      -1.131800     -4.7300000E-02
 C    2.483500       1.269300     -0.2207000    
 C    3.385200      -1.201500      0.6321000    
 C    3.698700       1.105700      0.4654000    
 C    1.407600      -2.297000     -0.2851000    
 C  -0.8211000      0.5230000     -0.7212000    
 C    2.065700       2.546000     -0.6350000    
 C    3.828600      -2.451200       1.056600    
 C    4.466000       2.239800      0.7176000    
 C    1.873200      -3.534400      0.1496000    
 C    3.086300      -3.611200      0.8218000    
 C   -1.868400      0.6399000      -1.642100    
 C   -1.093000      0.6468000      0.6460000    
 C   -3.433800      0.9999000      0.1625000    
 C    2.851200       3.663900     -0.3704000    
 C    4.053700       3.510100      0.3074000    
 C   -3.170500      0.8777000      -1.201700    
 C   -2.395000      0.8843000       1.086500    
 C   0.1230000      -2.354700     -0.9786000    
 C   -5.466800      -1.014500       1.889900    
 H   0.5960000      0.2376000      -2.172800    
 H    1.135000       2.706100      -1.172800    
 H    4.776100      -2.537600       1.585600    
 H    5.412400       2.145400       1.247100    
 H    1.305600      -4.444600     -2.6500000E-02
 H    3.458900      -4.571700       1.165300    
 H   -1.677900      0.5490000      -2.708700    
 H  -0.3039000      0.5604000       1.388400    
 H    2.527100       4.648700     -0.6926000    
 H    4.674500       4.375900      0.5186000    
 H   -3.966700      0.9776000      -1.934700    
 H   -2.589000      0.9761000       2.152000    
 H  -0.7693000      -2.322600     -0.3301000    
 H   -4.819000       1.785300       1.486000    
 H   -5.527800     -0.3961000       2.787300    
 H   -6.177100      -1.841400       1.963200    
 H   -4.459100      -1.409000       1.750300    


%chk=000150379-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150379

0 1
S -6.211078 0.766712 0.458181
O -0.108004 -4.132268 -0.830728
O -7.359861 1.553878 1.295457
O -6.443802 0.259036 -1.064706
N 0.354316 -0.256202 -1.001513
N 4.292898 -0.064818 0.712810
N -4.659908 2.015308 0.396773
C 1.605918 -0.182470 -0.334509
C 2.331354 -1.391228 -0.075812
C 2.209117 1.083024 -0.021619
C 3.718768 -1.257672 0.367291
C 3.545844 1.074701 0.563968
C 1.804320 -2.735760 -0.264746
C -0.874649 0.323145 -0.616004
C 1.598914 2.353338 -0.307380
C 4.553094 -2.428206 0.444454
C 4.157912 2.322883 0.936597
C 2.670425 -3.840281 -0.198057
C 4.051771 -3.688162 0.129998
C -1.950851 0.342778 -1.551342
C -1.086012 0.843949 0.692287
C -3.407777 1.422482 0.103046
C 2.231970 3.543666 0.043984
C 3.513114 3.530935 0.693525
C -3.193413 0.892379 -1.204829
C -2.341445 1.363842 1.048633
C 0.346587 -3.052428 -0.358064
C -5.674543 -0.788288 1.471629
H 0.311271 -0.905039 -1.792258
H 0.627047 2.387647 -0.805571
H 5.590637 -2.273083 0.755251
H 5.150972 2.272417 1.392951
H 2.238822 -4.835786 -0.350346
H 4.697953 -4.570569 0.177403
H -1.798619 -0.055445 -2.561732
H -0.275830 0.823553 1.427205
H 1.751649 4.501440 -0.183064
H 3.987476 4.477346 0.974197
H -4.011491 0.934023 -1.930064
H -2.496799 1.744383 2.066322
H -0.343599 -2.310184 0.102826
H -4.710470 2.485950 1.320321
H -5.530506 -0.453673 2.507847
H -6.512674 -1.491609 1.369830
H -4.754816 -1.166547 1.005358


