%chk=000122577.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122577

0 1
 S  -0.2171000       1.905300      -1.384900    
 S    2.367900      0.6357000      -2.114900    
 O    2.142600       2.891600     -0.7618000    
 N   -1.684300       1.267800      0.8323000    
 N    2.774300     -0.9321000      8.6199999E-02
 N   -1.675700       1.432900       2.166700    
 N    3.693800      -1.191600       1.026200    
 N   0.1082000       2.423200       1.267800    
 N    4.447600      0.3665000     -0.3791000    
 N  -0.5805000       2.137300       2.425000    
 N    4.715200     -0.3947000      0.7362000    
 C   -2.698400      0.5687000      0.2037000    
 C    1.552700      -1.597500      7.9200000E-02
 C   -3.068000      0.8983000      -1.100300    
 C   0.8976000      -1.822700      -1.126800    
 C   -3.351000     -0.4663000      0.8731000    
 C   0.9979000      -2.032600       1.277800    
 C  -0.5884000       1.878000      0.2972000    
 C    3.264900      1.3000000E-03 -0.7297000    
 C   -4.090400      0.1928000      -1.734900    
 C  -0.3269000      -2.490700      -1.134200    
 C   -4.373200      -1.172000      0.2386000    
 C  -0.2265000      -2.700800       1.270600    
 C   -4.742900     -0.8424000      -1.065500    
 C  -0.8889000      -2.929700      6.4499997E-02
 C    1.549200       1.973700      -1.313100    
 H   -2.710300       1.769700      -1.632700    
 H    1.329700      -1.641500      -2.101600    
 H   -3.079300     -0.7529000       1.886100    
 H    1.484800      -1.858900       2.233900    
 H   -4.400100      0.4684000      -2.738900    
 H  -0.8294000      -2.696300      -2.074900    
 H   -4.880400      -1.979100      0.7590000    
 H  -0.6657000      -3.041000       2.203800    
 H   -5.543100      -1.387800      -1.557200    
 H   -1.838400      -3.456900      5.7900000E-02


%chk=000122577-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122577

0 1
S -1.817924 -1.732420 -1.797558
S 1.131669 -1.203000 -2.323415
O -0.206854 -0.253828 -0.077672
N -3.771695 -0.708943 0.013455
N 2.998851 -0.242350 -0.385755
N -4.468229 -1.141752 1.162499
N 3.813598 0.893351 -0.183628
N -2.934656 -2.709370 0.571415
N 2.693660 1.105855 -2.147844
N -3.944252 -2.348285 1.480064
N 3.619410 1.685797 -1.261603
C -4.103616 0.547313 -0.606142
C 2.953177 -1.284656 0.605591
C -3.081231 1.463596 -0.941199
C 2.969883 -2.642150 0.211224
C -5.465866 0.843726 -0.841344
C 2.916019 -0.915606 1.969570
C -2.849507 -1.686337 -0.318900
C 2.328585 -0.074851 -1.583773
C -3.434277 2.685949 -1.552096
C 2.922239 -3.643055 1.204992
C -5.803727 2.073541 -1.443438
C 2.879436 -1.927155 2.950979
C -4.790856 2.992077 -1.807314
C 2.875097 -3.290332 2.573234
C -0.281326 -0.900291 -1.125098
H -2.038312 1.247352 -0.693159
H 3.032399 -2.916527 -0.846068
H -6.236783 0.123052 -0.552804
H 2.912428 0.142663 2.245095
H -2.649257 3.402673 -1.813713
H 2.930572 -4.696899 0.908672
H -6.855797 2.312136 -1.629696
H 2.845647 -1.649877 4.009401
H -5.057975 3.943978 -2.277841
H 2.836970 -4.071674 3.339167


