%chk=000166143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166143

0 1
 S   -1.735400      -4.075400     -0.2385000    
 O   -2.481800       2.618900     -0.5517000    
 O   -6.109900      -1.067700      0.7862000    
 O   -2.522500      -4.738200      -1.506700    
 O  -0.3152000      -4.120300     -0.5444000    
 O   -2.256000      -4.668000      0.9812000    
 O    5.284300     -0.5356000       1.544000    
 N  -0.6153000      0.8391000     -0.9481000    
 N   -4.446400      -3.023200      0.4605000    
 N    4.952400      0.7412000     -0.4021000    
 C   -2.926800      0.3120000     -0.2397000    
 C   -3.874500     -0.6523000      0.1095000    
 C   -1.627200     -7.8599997E-02 -0.5838000    
 C   -3.522600      -2.007400      0.1143000    
 C   -2.226400      -2.392400     -0.2296000    
 C   -4.659300       2.143500      0.1165000    
 C   -5.606900       1.179200      0.4660000    
 C   -3.284800       1.745200     -0.2495000    
 C   -5.249200     -0.2540000      0.4752000    
 C   -1.280800      -1.430100     -0.5779000    
 C   -5.011200       3.498600      0.1119000    
 C   -6.906400       1.569900      0.8108000    
 C   0.7838000      0.8155000     -0.8104000    
 C   -6.307100       3.883600      0.4562000    
 C   -7.252800       2.921300      0.8047000    
 C    1.591900       1.472800      -1.741300    
 C    1.372200      0.1336000      0.2575000    
 C    3.564100      0.7667000     -0.5374000    
 C    2.979900       1.448500      -1.605000    
 C    2.760200      0.1093000      0.3938000    
 C    5.710600      0.1141000      0.5953000    
 C    7.182300      0.2915000      0.4833000    
 C    8.011100     -0.6756000       1.011900    
 C    7.670300       1.417600     -0.1452000    
 C    9.392000     -0.5089000      0.9069000    
 C    9.051200       1.584300     -0.2503000    
 C    9.912000      0.6210000      0.2759000    
 H  -0.2843000      -1.735600     -0.8817000    
 H  -0.9629000       1.654000      -1.444700    
 H   -4.294200       4.270100     -0.1558000    
 H   -7.663900      0.8413000       1.086800    
 H   -5.394700      -2.786400      0.7151000    
 H   -4.189600      -3.999300      0.4306000    
 H   -6.579500       4.935100      0.4524000    
 H   -8.261100       3.223800       1.072300    
 H    1.149200       2.006900      -2.578400    
 H   0.7708000     -0.3655000       1.012800    
 H    3.593800       1.965000      -2.338600    
 H    3.135800     -0.4342000       1.249100    
 H   -2.299000      -4.358400      -2.388900    
 H    5.444800       1.210600      -1.156700    
 H    7.622900      -1.563900       1.501000    
 H    7.040100       2.211500     -0.5314000    
 H    10.06250      -1.259300       1.315700    
 H    9.457000       2.468600     -0.7330000    
 H    10.98730      0.7518000      0.1959000    


%chk=000166143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166143

0 1
S -1.728495 -4.110311 -0.082864
O -2.499218 2.720381 -0.424480
O -6.392216 -1.098401 0.511837
O -2.088566 -4.328901 -1.888206
O -0.134230 -4.195786 0.155382
O -2.720938 -5.098945 0.745322
O 5.540251 -0.984265 1.225770
N -0.652989 0.962564 -0.362997
N -4.635791 -2.985611 0.466316
N 5.029229 0.748973 -0.272937
C -3.022402 0.381176 -0.073496
C -4.041125 -0.618473 0.142892
C -1.631319 0.001005 -0.181394
C -3.701781 -2.023898 0.216685
C -2.308432 -2.330787 0.015470
C -4.805625 2.193356 -0.020772
C -5.806784 1.208641 0.214811
C -3.390318 1.802222 -0.183192
C -5.454678 -0.229603 0.299327
C -1.310625 -1.393674 -0.176345
C -5.170101 3.562820 -0.105844
C -7.160958 1.604492 0.363877
C 0.756625 0.827523 -0.313909
C -6.514743 3.946527 0.045153
C -7.513725 2.963959 0.280777
C 1.528936 1.705980 -1.124596
C 1.439804 -0.075318 0.546347
C 3.610026 0.739255 -0.246840
C 2.930434 1.664167 -1.088268
C 2.845559 -0.130408 0.578131
C 5.919455 -0.055106 0.448089
C 7.380189 0.239882 0.219478
C 8.301515 -0.799462 0.509405
C 7.871399 1.495490 -0.229022
C 9.684903 -0.599554 0.327087
C 9.257896 1.696288 -0.406034
C 10.167378 0.647621 -0.136301
H -0.285776 -1.728430 -0.362257
H -1.078931 1.917009 -0.505223
H -4.380098 4.296829 -0.289619
H -7.908406 0.825868 0.542177
H -5.608642 -2.640407 0.570922
H -4.351042 -3.963197 0.595665
H -6.793224 5.003821 -0.018731
H -8.559974 3.266153 0.397200
H 1.018942 2.411704 -1.789101
H 0.880327 -0.715548 1.235105
H 3.504250 2.349734 -1.724895
H 3.361075 -0.829442 1.238426
H -1.847894 -5.269268 -2.136883
H 5.448316 1.400725 -0.939631
H 7.906561 -1.750039 0.882103
H 7.193181 2.341588 -0.398456
H 10.386483 -1.411294 0.547241
H 9.628534 2.671100 -0.741069
H 11.242579 0.805073 -0.275136


