%chk=000114658.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114658

0 1
 S   3.7000000E-02   2.425200       1.124200    
 O   -2.590600       1.019300      0.3098000    
 O    2.427500      0.8503000     -4.8000002E-03
 O   -3.652600      0.2351000      -1.583900    
 O    4.732800      0.8149000      0.1121000    
 N   -4.806900      -3.019100       1.054400    
 N    4.157700      -3.492300      9.2900001E-02
 C   -1.527400       3.176300      0.5787000    
 C    1.021800       2.779400     -0.3488000    
 C   -2.291400       2.251100     -0.3555000    
 C    2.442700       2.257400     -0.2052000    
 C   -3.276400      0.1059000     -0.4303000    
 C    3.648400      0.2561000      0.1394000    
 C   -3.490600      -1.088700      0.4231000    
 C    3.426500      -1.197800      0.3344000    
 C   -4.553400      -1.905800      0.3017000    
 C    4.303100      -2.141000     -5.8200002E-02
 C   -5.591300      -1.608500     -0.7507000    
 C    5.583000      -1.717700     -0.7334000    
 H   -1.340600       4.148000      0.1117000    
 H   -2.121100       3.347700       1.482900    
 H    1.043700       3.859200     -0.5248000    
 H   0.5518000       2.291000      -1.207600    
 H   -3.234400       2.735300     -0.6363000    
 H   -1.724300       2.050100      -1.271300    
 H    3.000100       2.483900      -1.122100    
 H    2.947700       2.747600      0.6367000    
 H   -2.751200      -1.274300       1.197800    
 H    2.486000      -1.490100      0.7937000    
 H   -5.229400      -1.893000      -1.744500    
 H   -6.512900      -2.175200     -0.5708000    
 H   -5.890400     -0.5550000     -0.7501000    
 H    6.297000      -1.325500     -1.5000000E-03
 H    6.068200      -2.565600      -1.231900    
 H    5.409400     -0.9757000      -1.519900    
 H   -4.156900      -3.289700       1.782100    
 H   -5.630000      -3.580800      0.8782000    
 H    3.326200      -3.859300      0.5391000    
 H    4.881700      -4.124600     -0.2238000    


%chk=000114658-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114658

0 1
S -0.200845 1.988287 1.265477
O -3.481169 1.851471 0.931216
O 1.915034 0.417488 -0.432577
O -2.814643 0.813240 -1.067789
O 4.146663 0.662682 -1.084530
N -4.851732 -2.669842 0.800964
N 4.356253 -3.568704 0.292182
C -1.536432 3.317688 1.384081
C 0.248705 2.169048 -0.572552
C -2.772638 3.075513 0.508864
C 1.715310 1.836689 -0.808978
C -3.387800 0.729252 0.058497
C 3.234940 -0.074304 -0.604144
C -4.057706 -0.402203 0.675195
C 3.291765 -1.456517 -0.154481
C -4.195156 -1.661563 0.111437
C 4.419401 -2.262458 -0.171241
C -3.666383 -2.068383 -1.248838
C 5.785537 -1.834600 -0.668046
H -1.090359 4.296668 1.125431
H -1.817366 3.330474 2.451034
H 0.076056 3.224714 -0.852728
H -0.425055 1.519461 -1.153895
H -3.495208 3.901095 0.647678
H -2.509549 2.988619 -0.560249
H 1.981695 1.967936 -1.875812
H 2.387965 2.471072 -0.203255
H -4.468127 -0.209399 1.672558
H 2.346566 -1.856419 0.229538
H -2.894439 -2.854063 -1.139733
H -4.482339 -2.476274 -1.875499
H -3.216169 -1.203171 -1.754820
H 6.528601 -1.895954 0.150103
H 6.124809 -2.498409 -1.486184
H 5.746718 -0.799630 -1.036008
H -5.235308 -2.506824 1.729714
H -4.957277 -3.594048 0.390947
H 3.487890 -3.953458 0.658345
H 5.182291 -4.161075 0.285597


