%chk=000071274.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071274

0 1
 S   0.7880000      -2.005400     -0.6538000    
 O    3.546900     -0.3364000      0.6008000    
 O   -3.558700      -2.085600       1.395600    
 O   -3.110700       2.987600      -1.401600    
 N    3.884800       2.425000      0.5838000    
 N   -2.384200      -1.849800     -0.5907000    
 N   -3.729400       2.110000     -0.7166000    
 C    5.048600       1.539200      0.5823000    
 C    4.683200      0.1661000      8.8399999E-02
 C    3.407800      -1.561900      3.0600000E-02
 C    2.222900      -2.334200      0.4300000    
 C    5.284800     -0.6732000     -0.7842000    
 C    4.451100      -1.816000     -0.8290000    
 C  -0.3932000      -3.106300      0.1546000    
 C   -1.737200      -3.133500     -0.5606000    
 C    4.241900       3.737200       1.121500    
 C    3.341300       2.556900     -0.7675000    
 C   -3.255200      -1.425300      0.4055000    
 C   -3.862500     -8.2900003E-02  0.2144000    
 C   -3.183000      0.8554000     -0.5263000    
 C   -5.085200      0.1879000      0.7808000    
 C   -5.644300       1.447600      0.5955000    
 C   -4.957800       2.397600     -0.1535000    
 H    5.861600       1.947000     -3.2699998E-02
 H    5.435100       1.428200       1.603300    
 H    1.945300      -2.090000       1.461000    
 H    2.450000      -3.404900      0.3903000    
 H    6.202800     -0.5067000      -1.328900    
 H    4.595000      -2.711800      -1.416000    
 H   2.1100000E-02  -4.119700      0.1716000    
 H  -0.5287000      -2.774700       1.189700    
 H   -1.620400      -3.467700      -1.597800    
 H   -2.397800      -3.851000     -6.0600001E-02
 H    4.617200       3.644100       2.146800    
 H    5.007400       4.238500      0.5180000    
 H    3.360700       4.386600       1.169500    
 H    2.506200       3.267900     -0.7707000    
 H    4.089800       2.919400      -1.482200    
 H    2.923200       1.618500      -1.145700    
 H   -2.216300      -1.277000      -1.410600    
 H   -2.210800      0.7373000     -0.9804000    
 H   -5.627800     -0.5514000       1.362100    
 H   -6.609200       1.688700       1.030200    
 H   -5.324600       3.395800     -0.3430000    


%chk=000071274-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071274

0 1
S 1.217400 -3.275252 -1.242895
O 2.718281 -0.746911 0.570758
O -3.638021 -1.862383 0.553341
O -1.108835 3.256666 -1.285302
N 2.005021 2.219185 0.127008
N -1.565097 -1.833624 -0.509019
N -1.821453 2.489836 -0.451893
C 3.205135 1.683040 0.816263
C 3.613750 0.321547 0.345825
C 3.331977 -1.916890 0.068544
C 2.552007 -3.171107 0.154458
C 4.757677 -0.168592 -0.268982
C 4.579449 -1.592362 -0.448256
C -0.280585 -3.962199 -0.285708
C -1.567142 -3.279260 -0.775711
C 1.541556 3.470990 0.762872
C 2.190444 2.374443 -1.332741
C -2.629329 -1.217213 0.119236
C -2.565993 0.286022 0.272919
C -1.797952 1.102026 -0.574407
C -3.379494 0.878649 1.273060
C -3.375505 2.283271 1.401502
C -2.601757 3.073615 0.542449
H 4.098144 2.351349 0.691838
H 2.975541 1.649571 1.899823
H 1.996243 -3.239737 1.104646
H 3.208493 -4.046325 0.042797
H 5.622081 0.423829 -0.562275
H 5.280394 -2.287777 -0.906129
H -0.337144 -5.050220 -0.452452
H -0.118511 -3.759256 0.786865
H -1.703431 -3.464853 -1.860080
H -2.444839 -3.699892 -0.252766
H 1.283940 3.280596 1.821420
H 2.307486 4.289060 0.735186
H 0.641179 3.825507 0.232290
H 1.237417 2.716070 -1.771319
H 2.993090 3.111127 -1.595408
H 2.461759 1.403138 -1.781988
H -0.702016 -1.326526 -0.731817
H -1.165067 0.749592 -1.390073
H -3.998089 0.232670 1.900317
H -3.980930 2.782659 2.163115
H -2.557577 4.163021 0.566587


