%chk=000163823.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163823

0 1
 S   -3.630400       1.296600     -0.7341000    
 F    1.993000      -4.284600      0.2525000    
 N    1.702900      0.5232000      0.1851000    
 N    2.890800       3.081000      0.5590000    
 N  -0.6826000       1.359800      -1.316200    
 C    1.757200       1.470300     -0.9458000    
 C    1.786400       2.905300     -0.3882000    
 C    2.744900      0.6967000       1.200300    
 C   0.6245000       1.301600      -1.964800    
 C    2.761700       2.148700       1.678700    
 C    1.129400     -0.7324000      2.0999999E-03
 C  -0.2143000     -0.8690000     -0.4076000    
 C   -1.061200      0.3434000     -0.6131000    
 C    1.849200      -1.919900      0.2297000    
 C  -0.7949000      -2.129900     -0.6138000    
 C   -2.381700      0.4059000      2.5100000E-02
 C    1.270400      -3.177700      3.5000000E-02
 C  -4.8700001E-02  -3.282100     -0.3910000    
 C   -2.797800     -0.1709000       1.203400    
 C   -4.162800      0.1222000       1.487900    
 C   -4.736000      0.9119000      0.5156000    
 H    2.698700       1.294100      -1.485900    
 H    1.919500       3.616500      -1.211300    
 H   0.8384000       3.156300      0.1043000    
 H    3.722600      0.4223000      0.7843000    
 H    2.556100      5.8400001E-02   2.072500    
 H   0.6741000       2.108300      -2.706100    
 H   0.7391000      0.3752000      -2.543000    
 H    1.846800       2.371000       2.242500    
 H    3.604200       2.293000       2.363700    
 H    2.879900       4.036800      0.9140000    
 H    2.889800      -1.886400      0.5450000    
 H   -1.824100      -2.226900     -0.9494000    
 H  -0.4949000      -4.259500     -0.5477000    
 H   -2.163600     -0.7699000       1.844800    
 H   -4.696700     -0.2267000       2.362200    
 H   -5.750900       1.281700      0.4796000    


%chk=000163823-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163823

0 1
S -3.593453 1.673561 -0.570855
F 2.044485 -4.295580 0.492219
N 1.743720 0.548284 0.154332
N 2.910981 3.118560 0.555289
N -0.718667 1.395325 -1.324395
C 1.757339 1.561853 -0.950781
C 1.742576 2.980178 -0.341107
C 2.900939 0.707583 1.065379
C 0.614893 1.330440 -1.956106
C 2.894952 2.133663 1.655460
C 1.146522 -0.719995 -0.002634
C -0.241399 -0.863246 -0.381548
C -1.097505 0.342750 -0.619823
C 1.886895 -1.901413 0.302662
C -0.799478 -2.162709 -0.494574
C -2.441347 0.381379 -0.026536
C 1.270020 -3.152657 0.198251
C -0.061200 -3.330555 -0.212754
C -3.018795 -0.406073 0.971051
C -4.362542 -0.022461 1.313959
C -4.821702 1.062719 0.580229
H 2.725417 1.460229 -1.498961
H 1.829722 3.720719 -1.157023
H 0.763551 3.133340 0.169486
H 3.864818 0.541535 0.532814
H 2.816972 -0.022795 1.888042
H 0.673288 2.124684 -2.721491
H 0.783080 0.355198 -2.463649
H 1.996870 2.228713 2.313604
H 3.798325 2.270887 2.277878
H 3.055574 4.081822 0.880430
H 2.944033 -1.853755 0.575409
H -1.844013 -2.255671 -0.807879
H -0.493833 -4.330308 -0.296966
H -2.481867 -1.221265 1.460745
H -4.959994 -0.528784 2.075888
H -5.790179 1.558148 0.633256


