%chk=000147261.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147261

0 1
 S   -4.312300       1.727900       1.242000    
 O    4.345000     -0.9541000       1.632900    
 O   0.1254000      -2.391600      0.5048000    
 O    3.121900       3.315900     -0.7198000    
 O  -0.6598000      0.1071000       1.281900    
 O   -1.416700       2.635900      0.6789000    
 O  -0.3901000      -3.843900      -1.205500    
 N    3.915500      -1.589500      -2.053100    
 N    3.694400      0.5323000     -9.9799998E-02
 N   -1.817300      -3.547500      0.5728000    
 C    4.260100      -1.684100     -0.6369000    
 C    3.600100     -0.8504000      0.4182000    
 C    4.986700     -0.7468000      -1.550800    
 C    4.683000      0.6724000      -1.161800    
 C    2.080400      -1.036600      0.7259000    
 C    2.489600       1.179200      3.8699999E-02
 C    1.548800      0.3683000      0.5230000    
 C    1.345400      -2.060200     -0.1330000    
 C    2.233200       2.583400     -0.2983000    
 C   0.1897000      0.8403000      0.7880000    
 C    4.158000      -2.220400       2.244400    
 C   0.8294000       3.076500     -8.6300001E-02
 C  -0.1125000       2.258300      0.4299000    
 C   0.6149000       4.508500     -0.4966000    
 C  -0.6673000      -3.307600     -0.1379000    
 C   -2.232200       2.396600     -0.4513000    
 C   -3.679300       2.737900     -0.1321000    
 C   -4.973400      0.3161000      0.3647000    
 C   -5.988200      0.4923000     -0.5761000    
 C   -4.474100     -0.9609000      0.6210000    
 C   -6.503800     -0.6085000      -1.260300    
 C   -4.989600      -2.061700     -6.3400000E-02
 C   -6.004500      -1.885400      -1.004000    
 H    4.749900      -2.594300     -0.3298000    
 H    5.992600     -0.9572000      -1.874100    
 H    3.064900      -1.044300      -2.184200    
 H    4.301200       1.236500      -2.019100    
 H    5.578700       1.166400     -0.7733000    
 H    1.903100      -1.267900       1.783000    
 H    1.939300      -2.977300     -0.2149000    
 H    1.139300      -1.671100      -1.137100    
 H    5.119000      -2.532800       2.664300    
 H    3.805700      -3.013300       1.578100    
 H    3.462100      -2.117900       3.082700    
 H    1.295300       5.170300      4.9400002E-02
 H  -0.4045000       4.847800     -0.2881000    
 H   0.7930000       4.628900      -1.570100    
 H   -2.159500       1.350400     -0.7776000    
 H   -1.905700       3.029800      -1.286200    
 H   -2.002500      -3.078300       1.452900    
 H   -2.513300      -4.207000      0.2420000    
 H   -3.735100       3.779600      0.2027000    
 H   -4.304200       2.647300      -1.024600    
 H   -6.401000       1.476100     -0.7847000    
 H   -3.685300      -1.116400       1.352700    
 H   -7.296200     -0.4719000      -1.990500    
 H   -4.612300      -3.058300      0.1403000    
 H   -6.408100      -2.742900      -1.534500    


%chk=000147261-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147261

0 1
S -4.364876 2.427657 0.720076
O 3.727783 -1.032377 2.122209
O 0.356035 -2.892496 -0.671537
O 3.308555 3.245246 -0.470287
O -0.979538 -0.130184 0.275881
O -1.404447 2.555480 -0.745752
O -0.375560 -1.596513 -2.512086
N 4.790230 -1.387589 -1.566598
N 3.650854 0.432390 0.278484
N -1.818388 -3.005092 -1.308883
C 4.573817 -1.701802 -0.098134
C 3.446969 -0.983829 0.665676
C 5.581955 -0.635043 -0.514708
C 5.052148 0.739458 -0.069373
C 1.922555 -1.262128 0.363944
C 2.452522 1.034307 -0.025880
C 1.393788 0.140008 0.061494
C 1.700824 -2.295628 -0.771876
C 2.284456 2.485346 -0.362514
C 0.032194 0.594456 -0.038639
C 3.680835 -2.367979 2.732291
C 0.908026 2.942750 -0.600201
C -0.147207 2.040398 -0.503806
C 0.683934 4.386570 -0.984138
C -0.612397 -2.410531 -1.585311
C -2.499303 1.739409 -1.362868
C -3.798142 2.484800 -1.095753
C -5.073147 0.716823 0.768866
C -6.468060 0.540263 0.601226
C -4.236017 -0.397131 1.021647
C -7.029394 -0.755697 0.681550
C -4.805858 -1.690976 1.097732
C -6.198523 -1.873706 0.929800
H 4.869619 -2.707214 0.207058
H 6.659887 -0.809447 -0.519705
H 4.027251 -0.802490 -1.964207
H 5.090598 1.520545 -0.845888
H 5.609545 1.096782 0.815861
H 1.449454 -1.672302 1.274867
H 2.393579 -3.146303 -0.657972
H 1.817714 -1.845045 -1.773654
H 3.727254 -2.188774 3.817461
H 4.543870 -2.994031 2.432511
H 2.739458 -2.903988 2.495869
H 0.084957 4.911256 -0.217308
H 0.120728 4.464133 -1.931375
H 1.652705 4.899390 -1.090512
H -2.496523 0.724042 -0.942974
H -2.287292 1.699966 -2.450281
H -1.919830 -3.589076 -0.482607
H -2.635507 -2.726465 -1.844623
H -3.688941 3.558290 -1.325589
H -4.611000 2.063767 -1.711526
H -7.104055 1.412973 0.419025
H -3.159011 -0.254429 1.156645
H -8.109959 -0.888864 0.557354
H -4.159016 -2.550953 1.307949
H -6.635308 -2.876522 1.000490


