%chk=000047297.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047297

0 1
 S    1.422500       1.243800      8.2099997E-02
 O    5.050100       1.679900      0.6370000    
 O    4.468100     -0.3752000       1.401200    
 N   -1.829400      -2.570100      0.1346000    
 N   -3.558400       1.785300     -6.8800002E-02
 N   -2.723600     -0.4043000      3.3300001E-02
 N   -1.234900       1.477300      4.4000000E-03
 N  -0.3504000     -0.7508000      0.1083000    
 N    4.541400     -0.8839000      -1.497400    
 C    3.837400      0.2276000     -0.8546000    
 C    2.346100     -9.3900003E-02 -0.7394000    
 C   -1.624700      -1.173800      9.0099998E-02
 C   -2.452000      0.9101000     -7.3000002E-03
 C  -0.2393000      0.5834000      6.2799998E-02
 C    4.482600      0.4550000      0.4997000    
 C  -0.6991000      -3.474900      0.1829000    
 C   -3.171800      -3.114400      0.1184000    
 C   -4.908000       1.259500     -8.5800000E-02
 C   -3.356500       3.219400     -0.1015000    
 H    3.975100       1.124300      -1.471200    
 H    1.916300     -0.2543000      -1.734900    
 H    2.211500      -1.015000     -0.1599000    
 H    5.512200     -0.6217000      -1.665400    
 H    4.133500      -1.062100      -2.414400    
 H  -9.2600003E-02  -3.291100       1.076700    
 H  -6.6799998E-02  -3.353400     -0.7036000    
 H   -1.012700      -4.523700      0.2154000    
 H   -3.748500      -2.751800      0.9766000    
 H   -3.172700      -4.208500      0.1683000    
 H   -3.693700      -2.831600     -0.8025000    
 H   -5.113000      0.6882000      0.8262000    
 H   -5.059700      0.6071000     -0.9528000    
 H   -5.658600       2.054900     -0.1452000    
 H   -4.303700       3.766900     -0.1520000    
 H   -2.769100       3.509000     -0.9799000    
 H   -2.834600       3.558300      0.8002000    
 H    5.444100       1.803100       1.526900    


%chk=000047297-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047297

0 1
S 1.255408 1.403703 -1.548177
O 4.688912 0.627590 1.368931
O 2.496414 -0.139919 1.344980
N -1.644229 -2.496386 0.073166
N -3.500411 1.844513 0.026287
N -2.616132 -0.345476 0.066249
N -1.268509 1.544089 -0.679519
N -0.328725 -0.689724 -0.693788
N 4.759060 -0.758908 -1.112851
C 3.729349 0.259546 -0.799781
C 2.435630 -0.071447 -1.563301
C -1.533269 -1.148060 -0.186992
C -2.443254 0.990070 -0.200449
C -0.277618 0.644953 -0.894041
C 3.509399 0.215462 0.716932
C -0.520062 -3.418660 -0.134641
C -2.885065 -3.075339 0.602505
C -4.785210 1.357614 0.542355
C -3.387260 3.287687 -0.225665
H 4.048989 1.301364 -1.044037
H 2.663516 -0.301544 -2.617532
H 1.885678 -0.909707 -1.106890
H 5.623418 -0.645792 -0.574014
H 4.925640 -0.877222 -2.116596
H 0.345695 -2.849055 -0.497652
H -0.788893 -4.195305 -0.877433
H -0.254444 -3.919679 0.816600
H -2.707782 -3.526573 1.598730
H -3.260628 -3.865817 -0.076410
H -3.636974 -2.279399 0.692347
H -5.021987 1.843090 1.509626
H -4.720137 0.270192 0.685292
H -5.600581 1.587844 -0.171351
H -4.134574 3.607484 -0.978185
H -2.375901 3.502241 -0.598069
H -3.565520 3.856461 0.708068
H 4.557156 0.568709 2.353807


