%chk=000005566.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005566

0 1
 S  -0.9115000      -2.673700      -1.491300    
 F   -6.188100       1.289000     -0.2607000    
 F   -5.225300       1.407800       1.679200    
 F   -4.589700       2.725700      7.0500001E-02
 N    2.512400       1.337100     -0.4724000    
 N    5.369700       1.770200     -0.3901000    
 N  -0.3672000     -0.4324000      0.5932000    
 C    3.088000       2.495500      0.2216000    
 C    3.378100      0.9237000      -1.583700    
 C    1.163100       1.635000     -0.9486000    
 C    4.503300       2.184100      0.7205000    
 C    4.793900      0.6130000      -1.085900    
 C   0.2018000       1.935400      0.2055000    
 C   7.3200002E-02  0.8131000       1.234800    
 C    6.718200       1.470700      8.7399997E-02
 C   -1.673800     -0.4566000      4.3000001E-02
 C   0.5223000      -1.535900      0.6304000    
 C   -2.048900      -1.439100     -0.8944000    
 C   0.3647000      -2.625500     -0.2489000    
 C   -2.665400      0.4714000      0.4302000    
 C    1.578100      -1.614200       1.564800    
 C   -3.956900      0.4403000     -0.1030000    
 C   -3.348400      -1.462800      -1.431500    
 C    1.245500      -3.720700     -0.2030000    
 C   -4.297800     -0.5259000      -1.037300    
 C    2.447700      -2.707400       1.609300    
 C    2.283200      -3.760200      0.7223000    
 C   -4.970100       1.442600      0.3380000    
 H    2.508100       2.762200       1.110200    
 H    3.112300       3.376200     -0.4343000    
 H    3.420900       1.701800      -2.357900    
 H    2.972900      1.8300001E-02  -2.052000    
 H    1.172300       2.492200      -1.635100    
 H   0.7747000      0.7862000      -1.524400    
 H    4.910600       3.087600       1.190300    
 H    4.458900       1.404900       1.493800    
 H    4.768000     -0.2666000     -0.4280000    
 H    5.414900      0.3544000      -1.952100    
 H   0.4759000       2.863500      0.7195000    
 H  -0.7705000       2.165600     -0.2441000    
 H  -0.6080000       1.099300       2.045000    
 H    1.041600      0.7643000       1.731700    
 H    7.372600       1.206300     -0.7506000    
 H    6.729400      0.6447000      0.8077000    
 H    7.160800       2.351400      0.5658000    
 H   -2.466100       1.237600       1.174300    
 H    1.742100     -0.8699000       2.336400    
 H   -3.635100      -2.214400      -2.164400    
 H    1.131300      -4.557400     -0.8894000    
 H   -5.294100     -0.5701000      -1.467100    
 H    3.243700      -2.737400       2.347700    
 H    2.955400      -4.612100      0.7533000    


%chk=000005566-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005566

0 1
S -0.777606 -2.406541 -1.921211
F -6.283176 0.915034 0.420345
F -4.742242 1.601080 1.944613
F -4.864199 2.608570 -0.077322
N 2.625507 1.627025 -0.468216
N 5.508488 1.925668 -0.387662
N -0.308967 -0.501649 0.438462
C 3.257058 2.917735 -0.094540
C 3.503045 0.878573 -1.404475
C 1.236003 1.782029 -0.966278
C 4.636034 2.678675 0.542213
C 4.879832 0.637311 -0.764470
C 0.218899 1.949427 0.185675
C 0.212325 0.714260 1.115254
C 6.877434 1.756561 0.133575
C -1.649013 -0.507511 -0.036831
C 0.412684 -1.734173 0.544777
C -2.047881 -1.387800 -1.086033
C 0.263667 -2.745284 -0.443673
C -2.631448 0.357355 0.509731
C 1.276646 -2.002616 1.640974
C -3.954543 0.346194 0.014601
C -3.378922 -1.423740 -1.544330
C 0.942018 -3.975502 -0.347636
C -4.343467 -0.543267 -1.010677
C 1.988779 -3.218817 1.719603
C 1.826652 -4.212618 0.729289
C -4.939865 1.332556 0.564255
H 2.609194 3.446278 0.628824
H 3.383177 3.577392 -0.989722
H 3.647152 1.432224 -2.365552
H 3.027832 -0.093506 -1.631874
H 1.141625 2.644184 -1.671521
H 0.972562 0.870272 -1.535047
H 5.112193 3.651991 0.766413
H 4.495807 2.131104 1.510759
H 4.749931 -0.032710 0.124512
H 5.537436 0.120837 -1.488786
H 0.475414 2.834005 0.800728
H -0.782893 2.141919 -0.240636
H -0.338467 0.923495 2.055644
H 1.267662 0.525456 1.369923
H 7.502823 1.247513 -0.621828
H 6.922656 1.158013 1.079572
H 7.324243 2.746948 0.335262
H -2.373242 1.033862 1.327868
H 1.385564 -1.267044 2.442808
H -3.655677 -2.127232 -2.335611
H 0.788673 -4.737017 -1.119672
H -5.372542 -0.553949 -1.379074
H 2.657554 -3.393414 2.569312
H 2.370281 -5.160357 0.793888


