%chk=000100149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100149

0 1
 S  -0.9436000      -5.154900      0.5854000    
 O   -3.231000      0.7262000     -0.5990000    
 O    1.869900     -0.1152000      0.8003000    
 O   0.9797000      5.7200000E-02  -1.323900    
 O    2.227700       2.734300      0.8106000    
 O    4.270600      -1.246300     -0.2974000    
 O   -1.875100       1.231900       1.184600    
 N   -1.444000     -0.5799000     -0.1999000    
 N    2.977100      0.5957000      0.2875000    
 C  -0.2530000      -1.062800      0.4495000    
 C   -4.062400       1.846900     -0.2771000    
 C  -5.0600000E-02  -2.568000      0.2617000    
 C    4.329900       2.346500     -0.3249000    
 C    5.008000       1.025000     -0.6929000    
 C   0.9080000     -0.2969000     -0.1537000    
 C   -1.217200      -3.375700      0.8288000    
 C   -3.215100       3.116600     -0.3460000    
 C   -5.188200       1.895700      -1.307700    
 C   -4.628400       1.645200       1.127800    
 C    3.038700       1.952000      0.3397000    
 C    4.063800     -4.5299999E-02 -0.2163000    
 C   -2.156200      0.5268000      0.2210000    
 C   -1.408600      -5.254800      -1.158100    
 H  -0.3258000     -0.8133000       1.515100    
 H   0.8866000      -2.866400      0.7499000    
 H   7.4800000E-02  -2.777100     -0.8081000    
 H   -1.756200      -1.045300      -1.047300    
 H    4.942900       2.926800      0.3708000    
 H    4.120100       2.946800      -1.215000    
 H    5.150300      0.9389000      -1.774100    
 H    5.972800      0.9200000     -0.1881000    
 H   -2.174500      -3.092900      0.3802000    
 H   -1.297500      -3.196600       1.906300    
 H   -3.858700       4.003400     -0.3891000    
 H   -2.582100       3.118200      -1.241000    
 H   -2.558700       3.273100      0.5137000    
 H   -5.871400       2.731800      -1.126700    
 H   -4.782600       1.992700      -2.321400    
 H   -5.767600      0.9654000      -1.294100    
 H   -5.467000       2.329400       1.304000    
 H   -3.918300       1.835200       1.936300    
 H   -4.997900      0.6213000       1.257800    
 H   -2.420600      -4.870500      -1.310600    
 H  -0.7046000      -4.703100      -1.785100    
 H   -1.390400      -6.302800      -1.470000    


%chk=000100149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100149

0 1
S -1.044650 -4.430375 1.209185
O -3.305931 1.081127 -0.707846
O 2.224502 0.119402 0.665685
O 1.293767 0.680680 -1.436337
O 3.540685 2.712344 0.843293
O 3.853878 -1.642659 -0.932985
O -2.540488 0.635888 1.499552
N -1.277184 0.133444 -0.407638
N 3.490072 0.455969 0.103727
C -0.116558 -0.343430 0.340023
C -4.641615 1.680003 -0.272516
C 0.015107 -1.906877 0.381173
C 5.423745 1.666064 -0.451927
C 5.517460 0.240080 -1.063263
C 1.142149 0.234032 -0.293706
C -1.203567 -2.553300 1.060901
C -4.381921 2.936067 0.582441
C -5.280105 2.037307 -1.625402
C -5.457657 0.608740 0.477435
C 4.064297 1.750046 0.253180
C 4.228880 -0.484294 -0.664972
C -2.396187 0.626011 0.246616
C -1.307034 -4.915801 -0.592442
H -0.212770 0.023747 1.378819
H 0.936231 -2.168040 0.931839
H 0.130448 -2.286285 -0.651880
H -1.215961 0.234957 -1.422862
H 6.217154 1.867982 0.287851
H 5.473990 2.463908 -1.211508
H 5.584827 0.251267 -2.164333
H 6.380832 -0.335161 -0.688385
H -2.137806 -2.332861 0.517460
H -1.319320 -2.195674 2.098203
H -5.342991 3.437854 0.797921
H -3.737055 3.647591 0.036873
H -3.899418 2.672287 1.536587
H -6.274869 2.488799 -1.462406
H -4.651024 2.759713 -2.173334
H -5.400904 1.135008 -2.249334
H -6.466284 1.003294 0.698248
H -4.970308 0.335511 1.426508
H -5.571429 -0.296787 -0.144828
H -2.236075 -4.460014 -0.972468
H -0.448486 -4.619944 -1.215143
H -1.406828 -6.012421 -0.604505


