%chk=000159193.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159193

0 1
 S   -3.415700     -0.3207000     -0.4777000    
 F   -1.150400      -1.510500      -1.784100    
 F   0.7392000      -2.061600     -0.8667000    
 F   -1.300200      -2.258900      0.8010000    
 F   7.9700001E-02 -0.6866000       1.384100    
 F  -0.5793000       1.121800      -1.631700    
 F   0.9439000     -4.6599999E-02  -2.654800    
 F   -2.499000     -0.1510000       1.946300    
 F   -1.580400       1.206500      0.5236000    
 F   0.9320000       1.156700      0.6246000    
 F    1.848800       2.025300      -1.149500    
 F    3.282800     -0.3646000      -1.514400    
 F    2.361600      -1.146000      0.2988000    
 F    4.195500       1.827300     -3.7500001E-02
 F    3.274300      0.9556000       1.730500    
 F    4.766200      -1.315500       1.441500    
 F    5.943100      0.5187000       1.528000    
 F    5.689400     -0.5141000     -0.3681000    
 O   -3.135200      0.4269000      -1.689000    
 O   -3.681900      -1.745400     -0.5464000    
 N   -4.715500      0.4321000      0.3547000    
 C  -0.2029000      -1.087700     -0.8971000    
 C  -0.8783000      -1.003700      0.4660000    
 C   0.4010000      0.2052000      -1.429300    
 C   -2.058300     -6.3199997E-02  0.6645000    
 C    1.492500      0.8457000     -0.5788000    
 C    2.736400      5.1000002E-03 -0.3272000    
 C    3.824300      0.6463000      0.5218000    
 C   -4.619500       1.874700      0.6847000    
 C   -5.420300     -0.3412000       1.405700    
 C    5.060900     -0.1788000      0.7767000    
 C   -5.742700       2.630900      4.1999999E-03
 C   -6.592200      -1.083200      0.7956000    
 H   -3.673500       2.285000      0.3180000    
 H   -4.626600       2.046300       1.766100    
 H   -5.795000      0.3105000       2.202400    
 H   -4.737100      -1.049700       1.885100    
 H   -5.711700       2.488300      -1.081200    
 H   -6.719900       2.287400      0.3586000    
 H   -5.662600       3.702500      0.2111000    
 H   -7.298900     -0.3855000      0.3339000    
 H   -6.270600      -1.787800      2.3000000E-02
 H   -7.126700      -1.648100       1.565700    


%chk=000159193-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159193

0 1
S -3.716406 -0.079440 -0.771269
F -0.986907 -1.374318 -1.874505
F 0.832902 -2.143468 -0.716414
F -1.422819 -2.223973 0.710739
F 0.072467 -0.713388 1.543205
F -0.100269 1.217891 -1.712741
F 1.314815 -0.283903 -2.674784
F -2.644353 -0.104194 1.858379
F -1.582092 1.397769 0.516280
F 1.458636 1.418812 0.530853
F 2.521693 1.808771 -1.454206
F 3.483589 -1.039605 -1.230549
F 2.801993 -0.882288 0.944748
F 5.186131 0.977204 -1.031613
F 4.203304 1.838087 0.846785
F 5.074385 -0.245029 2.387380
F 6.765371 0.493287 1.077491
F 5.718246 -1.457599 0.572830
O -3.402469 1.042694 -1.890013
O -3.948063 -1.642535 -1.110574
N -5.138119 0.474016 0.214396
C -0.052973 -1.048338 -0.862880
C -0.863414 -0.942623 0.487475
C 0.793005 0.157837 -1.437215
C -2.025614 0.072719 0.597744
C 1.989947 0.794116 -0.618030
C 3.191714 -0.133565 -0.190557
C 4.521193 0.642652 0.163957
C -5.072008 1.898056 0.643425
C -5.725944 -0.560658 1.114745
C 5.530470 -0.161525 1.069903
C -6.485836 2.507864 0.705876
C -7.126705 -0.989827 0.638365
H -4.470788 2.444832 -0.105160
H -4.571131 1.985835 1.630466
H -5.748203 -0.150316 2.143081
H -5.066921 -1.448560 1.129740
H -6.989221 2.425119 -0.271674
H -7.111846 2.016308 1.470374
H -6.403232 3.577153 0.972158
H -7.820341 -0.134080 0.591752
H -7.065495 -1.443695 -0.364703
H -7.541493 -1.739699 1.337438


