%chk=000128531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128531

0 1
 S  -0.9321000      -2.257800      -1.006100    
 O    5.910600     -0.1674000       1.073600    
 O   -1.710400       1.006200      -2.545600    
 N   -2.411000       1.137100     -0.3392000    
 N   -5.277000      0.1817000       1.622500    
 C    1.405300      -1.376300     -0.3048000    
 C    2.408600     -0.3860000     -3.4899998E-02
 C   -4.729500      0.4009000     -0.7841000    
 C  -0.1507000      0.4259000     -0.8937000    
 C   0.1453000     -0.9393000     -0.7295000    
 C    2.109100      0.9897000     -0.2004000    
 C   -3.761300       1.570700     -0.6175000    
 C   -4.818200     -0.5249000      0.4325000    
 C   0.8375000       1.373200     -0.6261000    
 C   -1.461200      0.8798000      -1.334100    
 C    3.699800     -0.7596000      0.3966000    
 C    1.434300      -2.816000     -0.2219000    
 C    3.100900       1.946700      6.8300001E-02
 C    4.670000      0.2087000      0.6576000    
 C   0.2439000      -3.406900     -0.5715000    
 C    4.371300       1.557800      0.4942000    
 C   -5.365600     -0.7324000       2.762700    
 C   -6.574000      0.8153000       1.378100    
 C    6.854400      0.8729000       1.323300    
 H   -4.384800     -0.2101000      -1.629700    
 H   -5.714700      0.7724000      -1.086300    
 H   -3.756300       2.169900      -1.534700    
 H   -4.067000       2.228000      0.2023000    
 H   -3.832000     -0.9666000      0.6208000    
 H   -5.491300      -1.357500      0.1875000    
 H   0.6055000       2.430200     -0.7539000    
 H   -2.148300       1.004100      0.6333000    
 H    3.961500      -1.806200      0.5335000    
 H    2.296400      -3.395800      8.3099999E-02
 H    2.891700       3.008000     -5.2200001E-02
 H   1.4800000E-02  -4.463100     -0.5904000    
 H    5.077500       2.360000      0.6795000    
 H   -4.390000      -1.187700       2.967000    
 H   -6.093000      -1.534900       2.594600    
 H   -5.652800     -0.1898000       3.670200    
 H   -6.973600       1.233100       2.310400    
 H   -7.316400      0.1105000      0.9859000    
 H   -6.494400       1.669300      0.6987000    
 H    6.529700       1.523100       2.142700    
 H    7.083600       1.435900      0.4121000    
 H    7.785100      0.3943000       1.645300    


%chk=000128531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128531

0 1
S -1.353925 -1.816092 0.077108
O 5.956723 -0.271238 1.161466
O -1.505814 2.254788 -2.040868
N -2.685312 1.020360 -0.456113
N -5.121444 -0.253114 1.193117
C 1.180889 -1.027100 0.401388
C 2.354834 -0.183859 0.335939
C -5.032870 0.520426 -1.222688
C -0.230898 0.787607 -0.592606
C -0.071102 -0.530371 -0.051493
C 2.202155 1.139192 -0.234245
C -3.994757 1.591444 -0.810639
C -5.131798 -0.666433 -0.234459
C 0.917993 1.580775 -0.688006
C -1.518223 1.399199 -1.096619
C 3.636390 -0.604294 0.787102
C 1.110628 -2.397330 0.869385
C 3.353392 1.982438 -0.325403
C 4.745469 0.250372 0.683386
C -0.142903 -2.957154 0.773890
C 4.607787 1.559687 0.120524
C -4.933370 -1.409178 2.098078
C -6.313137 0.536124 1.572590
C 7.151968 0.572254 1.073170
H -4.770194 0.112240 -2.216994
H -6.013598 1.023465 -1.334610
H -3.821986 2.302907 -1.635973
H -4.373305 2.157992 0.061015
H -4.259336 -1.328612 -0.386724
H -6.041916 -1.271719 -0.483580
H 0.808861 2.574090 -1.137521
H -2.662856 0.459724 0.401407
H 3.789990 -1.595593 1.222638
H 1.969058 -2.949946 1.257227
H 3.238935 2.983513 -0.756919
H -0.468757 -3.959831 1.044852
H 5.469078 2.228672 0.037260
H -3.997433 -1.935753 1.839958
H -5.773844 -2.147077 2.049882
H -4.851074 -1.054451 3.141221
H -6.221179 0.861969 2.624021
H -7.266721 -0.041296 1.469111
H -6.393390 1.439094 0.943874
H 7.036624 1.499627 1.666808
H 7.388880 0.828239 0.022430
H 7.962684 -0.038659 1.496313


