%chk=000104103.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104103

1 1
 S   -1.101600       1.056400      0.8820000    
 F    1.774300       2.455100      -1.462400    
 F    1.133100       3.203800      0.4729000    
 F  -0.8498000       2.587000      -1.179100    
 F  -0.1298000      0.5610000      -1.471800    
 F    3.381000       1.850100      0.5651000    
 F    1.794700      0.8701000       1.676400    
 F    1.417600     -0.8787000     -0.4917000    
 F    3.048900      0.1229000      -1.530100    
 F    4.703700     -0.3408000      0.6411000    
 F    3.062400      -1.325000       1.681500    
 F    4.775800      -3.042100      0.4599000    
 F    2.782600      -3.091000     -0.4225000    
 F    4.418000      -2.099500      -1.473800    
 O  -0.9532000       2.079900       1.898800    
 O  -0.7802000     -0.3276000       1.170100    
 N   -6.267500      -1.294400      0.1495000    
 N   -2.699000       1.143100      0.2779000    
 C   -4.840500     -0.8970000      0.2319000    
 C   -4.507600      7.7999998E-03 -0.9476000    
 C    1.227600       2.065800     -0.2732000    
 C  -0.1805000       1.569300     -0.5631000    
 C   -3.040600      0.4225000     -0.9615000    
 C    2.222400       1.142400      0.4176000    
 C   -7.179000     -5.9200000E-02  0.1522000    
 C   -6.540000      -2.085100      -1.137900    
 C   -6.658000      -2.177500       1.342900    
 C    2.552100     -0.1610000     -0.2980000    
 C    3.551500      -1.032800      0.4488000    
 C    3.881700      -2.325500     -0.2558000    
 H   -4.688500     -0.3863000       1.189900    
 H   -4.228000      -1.806500      0.2212000    
 H   -4.695400     -0.4787000      -1.908600    
 H   -5.094000      0.9318000     -0.9220000    
 H   -2.851900       1.076400      -1.819200    
 H   -2.418300     -0.4726000      -1.065500    
 H   -6.880600      0.5898000      0.9805000    
 H   -7.113600      0.4579000     -0.8081000    
 H   -8.209800     -0.3997000      0.2948000    
 H   -5.789100      -2.875800      -1.224400    
 H   -7.539900      -2.524000      -1.060100    
 H   -6.519900      -1.417000      -2.001900    
 H   -6.023900      -3.068700       1.327000    
 H   -6.492400      -1.603000       2.259000    
 H   -7.712300      -2.453800       1.248100    
 H   -3.169000       2.053900      0.3644000    


%chk=000104103-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104103

1 1
S -1.643634 1.278388 0.462532
F 2.313366 2.698705 -0.886715
F 1.125588 3.127349 1.014322
F -0.422617 3.122901 -1.251052
F 0.127194 0.970493 -1.736797
F 3.195233 1.431093 1.414017
F 1.128219 0.498177 1.762432
F 1.309023 -1.110827 -0.316757
F 2.948831 0.104653 -1.341843
F 4.825646 -0.652220 0.392538
F 3.306887 -1.334505 1.965678
F 4.799570 -3.334939 0.437094
F 2.539725 -3.474008 0.468506
F 3.604139 -2.704657 -1.389337
O -1.708329 2.110538 1.836569
O -1.690513 -0.339979 0.376762
N -6.000430 -1.389670 0.240159
N -3.044424 1.808224 -0.548338
C -4.696478 -0.669534 -0.197113
C -4.824121 0.263618 -1.410315
C 1.382805 2.147308 0.027486
C 0.037743 1.914281 -0.714258
C -3.461704 0.962460 -1.685514
C 2.050246 0.922866 0.772095
C -7.060749 -0.380455 0.676602
C -6.551075 -2.258588 -0.887501
C -5.651196 -2.285023 1.432706
C 2.470252 -0.331050 -0.088386
C 3.565572 -1.248220 0.579082
C 3.624996 -2.718933 0.012580
H -4.359382 -0.098345 0.683737
H -3.953663 -1.463314 -0.385355
H -5.095810 -0.289537 -2.328843
H -5.584043 1.047920 -1.242012
H -3.548794 1.586025 -2.592892
H -2.688189 0.196981 -1.885301
H -6.639066 0.264895 1.462122
H -7.367259 0.229621 -0.184564
H -7.931993 -0.927629 1.068368
H -5.762864 -2.947531 -1.227348
H -7.410711 -2.832426 -0.508351
H -6.875625 -1.619587 -1.720772
H -4.895663 -3.021472 1.120190
H -5.243418 -1.661323 2.242489
H -6.560673 -2.801028 1.776462
H -3.109110 2.832006 -0.619963


