%chk=000146202.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146202

0 1
 S   -1.655500       1.520500       1.904200    
 O   -2.252300      -2.577400     -0.2134000    
 O    2.080500     -0.8013000       1.820700    
 O   -4.593900     -0.3573000      -2.154600    
 O   -5.415800      -1.219900     -0.1879000    
 N   -2.428700     -0.2439000      7.6800004E-02
 N   0.6358000      -1.129100      3.6899999E-02
 N    3.709400      -2.575500      0.1006000    
 C   -1.245000      0.4979000      0.4717000    
 C  -0.6021000     -0.8742000      0.7698000    
 C   -1.870400      -1.473700      9.7999997E-02
 C   -3.630600      0.3331000     -0.1812000    
 C   -2.930400       2.465800       1.002900    
 C   -3.896800       1.608400      0.1887000    
 C    1.896900      -1.070300      0.6346000    
 C   -5.174300       2.345700     -0.1331000    
 C   -4.651400     -0.5096000     -0.8215000    
 C    3.032700      -1.353300     -0.3425000    
 C    3.975800     -0.1714000     -0.4313000    
 C    3.734700      0.8145000      -1.371500    
 C    5.056300     -0.1045000      0.4302000    
 C    4.602900       1.903200      -1.453200    
 C    5.924500      0.9843000      0.3485000    
 C    5.697600       1.988100     -0.5933000    
 H  -0.7947000       1.044700     -0.3662000    
 H  -0.5334000      -1.162400       1.826100    
 H   0.5884000      -1.352600     -0.9542000    
 H   -2.438500       3.187600      0.3417000    
 H   -3.484600       3.030100       1.760400    
 H   -5.861400       1.765200     -0.7547000    
 H   -4.947600       3.269900     -0.6753000    
 H   -5.704000       2.604700      0.7896000    
 H    2.633100      -1.557400      -1.343400    
 H    4.430700      -2.828900     -0.5746000    
 H    3.046000      -3.350000      0.1007000    
 H   -5.263900     -0.9028000      -2.619300    
 H    2.883200      0.7580000      -2.043300    
 H    5.249800     -0.8597000       1.185700    
 H    4.425800       2.685300      -2.185700    
 H    6.774700       1.053100       1.020900    
 H    6.372800       2.836400     -0.6559000    


%chk=000146202-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146202

0 1
S -2.095293 0.149195 2.581044
O -1.735755 -1.776376 -1.635225
O 1.631555 -2.439043 1.884012
O -2.724858 0.833221 -2.711986
O -4.959206 1.048243 -2.112918
N -2.005206 0.190236 -0.196714
N 0.979209 -1.039574 0.144532
N 4.272716 -2.052929 1.355899
C -1.104098 0.277139 0.972403
C -0.421047 -1.057030 0.498550
C -1.458712 -1.036024 -0.679799
C -3.220595 0.892807 -0.380639
C -3.274759 1.550991 2.086189
C -3.833047 1.543281 0.670814
C 1.919440 -1.773224 0.845771
C -5.091867 2.374616 0.532717
C -3.757614 0.926295 -1.773884
C 3.358316 -1.792591 0.243759
C 3.708100 -0.509481 -0.520120
C 3.500678 -0.425464 -1.920710
C 4.220752 0.616466 0.171733
C 3.784931 0.771959 -2.619152
C 4.504692 1.811178 -0.524233
C 4.283878 1.895298 -1.920897
H -0.471005 1.177606 0.993189
H -0.591397 -1.891713 1.201252
H 1.293991 -0.485452 -0.657215
H -2.760101 2.512337 2.276793
H -4.107654 1.480203 2.808238
H -5.307117 2.659009 -0.506786
H -5.019326 3.284926 1.158315
H -5.967003 1.799781 0.894804
H 3.319907 -2.624051 -0.507382
H 5.204276 -2.370335 1.082722
H 3.837057 -2.596577 2.108871
H -3.118575 0.759777 -3.622599
H 3.134491 -1.302804 -2.470681
H 4.407241 0.517315 1.246349
H 3.626593 0.823106 -3.702164
H 4.902962 2.676732 0.017623
H 4.509752 2.822250 -2.459874


