%chk=000178948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178948

0 1
 S    1.999900       2.639500      0.4989000    
 O   -5.721400     -0.1457000     -2.0700000E-02
 O    4.873700      -1.901300     -0.1206000    
 N    3.862100      0.2067000      0.1738000    
 C   -1.014400       1.471900      0.2836000    
 C   0.2005000      0.5745000      0.1714000    
 C  -0.1927000     -0.7678000     -2.9800000E-02
 C   -2.147000      0.4793000      0.1228000    
 C   -1.638400     -0.8264000     -5.9599999E-02
 C    1.534800      0.9338000      0.2441000    
 C   0.7571000      -1.767000     -0.1604000    
 C   -3.508000      0.7294000      0.1396000    
 C   -2.498100      -1.899000     -0.2279000    
 C    2.492100     -7.3799998E-02  0.1126000    
 C    2.107200      -1.410800     -8.7600000E-02
 C   -4.374300     -0.3521000     -2.9999999E-02
 C   -3.874500      -1.653100     -0.2122000    
 C    2.121800       3.243600      -1.207400    
 C    4.929900     -0.6891000      5.9700001E-02
 C   -6.169700       1.194800      0.1681000    
 C    6.259200      1.2500000E-02  0.1816000    
 H   -1.063100       1.947400       1.267600    
 H   -1.038100       2.207500     -0.5257000    
 H   0.4735000      -2.802900     -0.3150000    
 H   -3.826000       1.754600      0.2839000    
 H   -2.127300      -2.908600     -0.3692000    
 H    2.790200      -2.239800     -0.1969000    
 H   -4.564400      -2.483400     -0.3431000    
 H    4.095000       1.186700      0.3198000    
 H    2.404800       4.299200      -1.197100    
 H    1.160100       3.142700      -1.717300    
 H    2.882400       2.681500      -1.755800    
 H   -5.848000       1.846400     -0.6514000    
 H   -5.874600       1.584100       1.148400    
 H   -7.264300       1.175200      0.1491000    
 H    6.365000      0.7462000     -0.6224000    
 H    7.071200     -0.7161000      0.1071000    
 H    6.324500      0.5182000       1.149100    


%chk=000178948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178948

0 1
S 2.133969 2.613314 0.490568
O -5.846666 -0.160576 0.003121
O 5.026642 -1.871710 -0.215758
N 3.929897 0.171046 0.182853
C -0.988619 1.465943 0.287996
C 0.222042 0.549704 0.152159
C -0.207771 -0.797410 -0.059594
C -2.161588 0.503607 0.129370
C -1.679660 -0.821811 -0.076077
C 1.587604 0.862800 0.210751
C 0.749340 -1.823865 -0.207486
C -3.539132 0.784793 0.165034
C -2.596005 -1.886486 -0.250350
C 2.560951 -0.184254 0.079397
C 2.124792 -1.522610 -0.136260
C -4.447677 -0.293118 -0.010363
C -3.976936 -1.618268 -0.217317
C 2.243234 3.193058 -1.314754
C 5.063053 -0.634125 0.052739
C -6.399181 1.177495 0.218967
C 6.374554 0.123965 0.264863
H -0.996083 1.984650 1.265788
H -0.996875 2.261321 -0.482859
H 0.437784 -2.861109 -0.372733
H -3.893468 1.807865 0.324812
H -2.246152 -2.912311 -0.409604
H 2.882665 -2.300824 -0.242953
H -4.717046 -2.413515 -0.347656
H 4.073463 1.164722 0.416236
H 2.601337 4.234178 -1.287395
H 1.246176 3.146725 -1.776790
H 2.950727 2.559553 -1.870322
H -6.093037 1.875312 -0.585116
H -6.092521 1.587030 1.201474
H -7.490916 1.045245 0.197757
H 6.499642 0.926934 -0.485301
H 7.208992 -0.585091 0.167449
H 6.413170 0.586622 1.268457


