%chk=000149575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149575

0 1
 S   -6.494000      -2.110000      0.9453000    
 O   -3.720600       1.680800      -1.979600    
 O    7.225800      -1.281700     -0.1821000    
 O   -7.748500      -2.304800       1.648100    
 O   -6.468200      -2.000400     -0.4997000    
 N   -1.132600       1.280900     -0.9487000    
 N    2.955400       1.103200     -4.0700000E-02
 N   -5.658500     -0.7940000       1.677700    
 N    6.727900      -2.520900       1.730300    
 C    1.028000      0.1652000      -1.133400    
 C   0.2535000       1.220200     -0.6402000    
 C    2.393900      0.1461000     -0.8043000    
 C    3.170200     -0.9016000      -1.292400    
 C   0.8313000       2.216500      0.1532000    
 C    4.631400     -0.9726000     -0.9726000    
 C    2.204800       2.117200      0.4319000    
 C   0.4735000     -0.8496000      -1.932800    
 C    2.622600      -1.911700      -2.087200    
 C   -2.265800      0.7692000     -0.3031000    
 C    1.271300      -1.886000      -2.408100    
 C    4.934000      -1.752500      0.3111000    
 C   7.6800004E-02   3.287900      0.6623000    
 C    2.786000       3.106100       1.221100    
 C   -3.548300      0.9749000     -0.8262000    
 C   0.6817000       4.263600       1.449000    
 C   -2.119800      3.9900001E-02  0.8833000    
 C    2.039200       4.172100       1.728700    
 C   -4.513100     -0.2661000       1.008600    
 C   -4.667700      0.4591000     -0.1729000    
 C   -3.239200     -0.4757000       1.536700    
 C    6.426300      -1.823700      0.5797000    
 C   -5.428000      -3.456300       1.409700    
 C   -3.700500      0.9427000      -3.199300    
 C    7.971400      -2.637900       2.046600    
 H    5.059300      3.6800001E-02 -0.9131000    
 H    5.160000      -1.438800      -1.816100    
 H  -0.5783000     -0.8579000      -2.206300    
 H   -1.326300       1.827100      -1.782900    
 H    3.240800      -2.724800      -2.458800    
 H   0.8407000      -2.668400      -3.025400    
 H    4.550700      -2.776700      0.2327000    
 H    4.452400      -1.271600       1.170500    
 H  -0.9858000       3.392600      0.4589000    
 H    3.848100       3.056500       1.454300    
 H   9.7199999E-02   5.090700       1.840100    
 H   -1.140600     -0.1407000       1.319100    
 H    2.521200       4.928300       2.341400    
 H   -5.658300      0.6383000     -0.5842000    
 H   -3.106900      -1.040500       2.455900    
 H   -5.551600     -0.8592000       2.699000    
 H   -4.454100      -3.326500      0.9353000    
 H   -5.886400      -4.383500       1.058000    
 H   -5.337200      -3.479900       2.497300    
 H   -4.528600      0.2273000      -3.226200    
 H   -2.748100      0.4176000      -3.322000    
 H   -3.820100       1.646600      -4.027400    
 H    8.802400      -2.217100       1.455900    
 H    8.247800      -3.188600       2.959300    


%chk=000149575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149575

0 1
S -6.643024 -2.464957 0.361370
O -3.495083 1.993518 -1.249423
O 7.314611 -2.239050 -0.038571
O -7.774970 -3.263394 1.217860
O -7.053341 -1.399555 -0.804476
N -1.057046 1.222270 -0.674569
N 3.210415 0.805345 -0.379585
N -5.476257 -1.374804 1.718275
N 6.928978 -1.725859 2.213306
C 0.986412 -0.193075 -0.887245
C 0.344364 1.045822 -0.564744
C 2.439541 -0.269047 -0.740554
C 3.126088 -1.518664 -1.027540
C 1.142257 2.173796 -0.186634
C 4.627338 -1.616984 -0.836542
C 2.588774 2.001837 -0.136771
C 0.280666 -1.331806 -1.408733
C 2.381000 -2.601129 -1.496713
C -2.083226 0.483615 -0.073193
C 0.965109 -2.505219 -1.706317
C 5.023126 -1.622043 0.659031
C 0.586172 3.452219 0.168539
C 3.411892 3.131116 0.204785
C -3.428858 0.904725 -0.363585
C 1.414546 4.521964 0.501694
C -1.893438 -0.592390 0.834318
C 2.842098 4.364354 0.507031
C -4.329013 -0.815096 1.124908
C -4.529986 0.283923 0.230428
C -2.998065 -1.256325 1.394878
C 6.518469 -1.851306 0.861202
C -5.537045 -3.792163 -0.517478
C -4.829573 2.491256 -1.612522
C 7.713368 -0.830699 2.714717
H 5.121640 -0.755393 -1.319090
H 5.013652 -2.533098 -1.315910
H -0.795607 -1.262770 -1.586916
H -1.389392 2.078420 -1.131603
H 2.894727 -3.540545 -1.731915
H 0.424044 -3.364321 -2.117573
H 4.482923 -2.418288 1.208905
H 4.728976 -0.664247 1.127995
H -0.501171 3.581207 0.204413
H 4.494768 2.973688 0.215736
H 0.977088 5.488360 0.774607
H -0.879006 -0.908132 1.090857
H 3.478360 5.217970 0.764714
H -5.555912 0.605170 0.038048
H -2.833319 -2.098386 2.078159
H -5.255495 -2.106599 2.425376
H -4.655048 -3.262347 -0.902942
H -6.166688 -4.194333 -1.323379
H -5.291265 -4.549376 0.239513
H -5.355031 2.889659 -0.724619
H -5.432827 1.688533 -2.074635
H -4.650186 3.297164 -2.338453
H 8.124796 0.016385 2.133708
H 8.002172 -0.903216 3.773156


