%chk=000131606.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131606

0 1
 S    4.745900       1.313300      0.1906000    
 O  -0.6402000      -3.580000      -1.499400    
 O    6.019400       1.886100     -0.2041000    
 O    3.511400       2.040900     -2.7500000E-02
 N   -2.755200      0.5969000      0.6789000    
 N    4.642900     -0.2807000     -0.4533000    
 C   -2.617900     -0.4080000       1.727700    
 C   -1.430200      -1.330800       1.452300    
 C   -4.124900       1.111000      0.6350000    
 C   -1.807500       1.692400      0.8887000    
 C   -1.590900      -2.049500      0.1095000    
 C   -5.046400      0.1078000     -5.6600001E-02
 C   -1.543000       2.424200     -0.4260000    
 C  -0.4088000      -2.971700     -0.2273000    
 C   -6.488000      0.6164000     -9.4200000E-02
 C  -0.5708000       3.587300     -0.2251000    
 C   0.9234000      -2.261300     -0.2861000    
 C   -7.405200     -0.3606000     -0.8123000    
 C  -0.2748000       4.299000      -1.535500    
 C    1.975400      -2.683000      0.5272000    
 C    1.101900      -1.184700      -1.154800    
 C    3.205500      -2.028000      0.4719000    
 C    2.332000     -0.5295000      -1.210000    
 C    3.383800     -0.9512000     -0.3967000    
 C    4.862300      0.9438000       1.926900    
 H   -3.501600      -1.049900       1.808900    
 H   -2.505100      5.9500001E-02   2.715100    
 H   -1.373200      -2.078000       2.253800    
 H  -0.4909000     -0.7713000       1.489900    
 H   -4.491800       1.342400       1.644100    
 H   -4.187700       2.046100      6.7699999E-02
 H   -2.167800       2.388400       1.658100    
 H  -0.8396000       1.321800       1.245000    
 H   -2.511100      -2.648900      0.1229000    
 H   -1.732500      -1.331500     -0.7073000    
 H   -4.694700     -6.3299999E-02  -1.082300    
 H   -5.041600     -0.8656000      0.4443000    
 H   -1.122600       1.721200      -1.156900    
 H   -2.466700       2.818900     -0.8620000    
 H  -0.3673000      -3.781700      0.5110000    
 H   -6.854900      0.7708000      0.9272000    
 H   -6.528800       1.585900     -0.6042000    
 H  -0.9917000       4.305400      0.4882000    
 H   0.3693000       3.218200      0.2013000    
 H   -7.083500     -0.5124000      -1.847600    
 H   -8.430000      2.3499999E-02 -0.8280000    
 H   -7.414600      -1.332600     -0.3090000    
 H   0.1783000       3.614400      -2.259800    
 H   0.4223000       5.126200      -1.368400    
 H   -1.189600       4.709100      -1.975100    
 H    1.851200      -3.519700       1.209400    
 H   0.2982000     -0.8474000      -1.803400    
 H   -1.482700      -4.062500      -1.444700    
 H    4.017700      -2.364100       1.111400    
 H    2.459100      0.2991000      -1.901700    
 H    5.448000     -0.8874000     -0.2472000    
 H    5.721800      0.2923000       2.095600    
 H    3.937000      0.4702000       2.258400    
 H    5.003600       1.886000       2.461300    


%chk=000131606-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131606

0 1
S 4.307887 1.615380 -0.852000
O -0.814921 -3.924637 -1.371462
O 5.854590 2.105414 -0.850940
O 3.241827 2.101294 -1.973117
N -2.641594 0.481788 1.090511
N 4.395572 -0.318331 -0.968127
C -2.665411 -0.679169 2.016348
C -1.533878 -1.694056 1.723569
C -3.987280 1.049828 0.815181
C -1.640789 1.513985 1.471231
C -1.691168 -2.345441 0.334133
C -4.808274 0.212950 -0.188702
C -1.057599 2.269803 0.257909
C -0.511729 -3.260556 -0.082305
C -6.209500 0.809199 -0.455533
C -0.134876 3.440026 0.671608
C 0.786014 -2.496794 -0.294429
C -7.030709 -0.023820 -1.463141
C 0.535323 4.130157 -0.536997
C 1.857293 -2.602633 0.624581
C 0.930913 -1.645141 -1.421492
C 3.039728 -1.854524 0.444768
C 2.117084 -0.922292 -1.635856
C 3.187136 -1.021827 -0.700136
C 3.540714 2.040448 0.865866
H -3.638319 -1.193817 1.901658
H -2.603298 -0.353775 3.084877
H -1.536000 -2.469629 2.517943
H -0.553962 -1.181195 1.783926
H -4.577394 1.184135 1.758828
H -3.848358 2.062230 0.390754
H -2.073020 2.250224 2.197115
H -0.809721 1.010155 2.001785
H -2.622559 -2.954549 0.328354
H -1.820122 -1.544108 -0.417023
H -4.237619 0.143779 -1.135580
H -4.922848 -0.825399 0.184734
H -0.503341 1.550216 -0.376176
H -1.880735 2.665126 -0.370473
H -0.358781 -4.031666 0.705531
H -6.765261 0.886429 0.501741
H -6.100431 1.845816 -0.835367
H -0.724166 4.182565 1.248180
H 0.644625 3.063934 1.368888
H -6.510325 -0.092865 -2.436870
H -8.025712 0.423223 -1.642725
H -7.185553 -1.054833 -1.092354
H 1.187482 3.431607 -1.094213
H 1.151347 4.993609 -0.221905
H -0.228179 4.508066 -1.242811
H 1.767336 -3.272874 1.487950
H 0.117916 -1.593163 -2.152134
H -1.741246 -4.276039 -1.331552
H 3.860280 -1.936308 1.169445
H 2.247371 -0.291799 -2.519935
H 5.200606 -0.570876 -0.366992
H 4.293685 1.760126 1.615056
H 2.611008 1.460931 0.946851
H 3.355543 3.122874 0.836824


