%chk=000105437.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105437

0 1
 S   -2.349400     -0.4883000     -0.8108000    
 F    1.844200      -2.268200     -0.5452000    
 F   0.5013000     -0.9664000      -1.647100    
 F  -0.6490000      -3.079900     -0.4052000    
 F   0.1755000      -2.476800       1.511600    
 F   0.5626000      0.8425000      0.5036000    
 F    1.943200     -0.4911000       1.532200    
 F   -2.415100      -2.017000       1.266000    
 F   -1.253000     -0.2025000       1.523000    
 F    3.624600     -0.4323000     -0.6671000    
 F    2.230200      0.8866000      -1.697400    
 F    3.776300       1.365300       1.428900    
 F    2.389100       2.689700      0.3877000    
 F    4.305700       2.185000     -0.5212000    
 O   -1.470300      0.5009000      -1.403000    
 O   -2.877200      -1.581800      -1.604100    
 N   -3.668800      0.3103000     -7.2200000E-02
 C   0.8771000      -1.316300     -0.3909000    
 C  -0.2886000      -1.985400      0.3252000    
 C    1.503300     -0.1140000      0.3035000    
 C   -1.544000      -1.181900      0.6279000    
 C    2.660900      0.5033000     -0.4679000    
 C    3.284900       1.694900      0.2156000    
 C   -3.474200       1.662000      0.4818000    
 C   -4.766200       2.406400      0.3966000    
 C   -4.922900       3.554800     -0.2716000    
 H   -4.353900     -0.2722000      0.4267000    
 H   -3.178200       1.574000       1.532200    
 H   -2.684200       2.199300     -5.0600000E-02
 H   -5.622000       1.992600      0.9243000    
 H   -5.886300       4.052300     -0.2897000    
 H   -4.101700       4.016000     -0.8089000    


%chk=000105437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105437

0 1
S -2.290597 0.333153 -1.134468
F 1.792573 -2.465275 -0.421503
F 0.660527 -0.902098 -1.658484
F -0.904112 -2.712170 -0.320761
F 0.057930 -2.214266 1.686176
F 1.377185 1.104841 -0.086288
F 1.930627 -0.246046 1.672498
F -2.493332 -1.145016 1.270834
F -0.908368 0.490769 1.394449
F 4.127658 -1.164135 0.502398
F 3.474367 -0.521357 -1.595039
F 4.008892 1.713143 1.224634
F 3.792830 2.124762 -1.002358
F 5.576689 0.962012 -0.236506
O -1.511574 1.734032 -1.318104
O -2.430457 -0.790203 -2.282814
N -3.940892 0.716898 -0.542199
C 1.022438 -1.281072 -0.345795
C -0.303249 -1.666517 0.420634
C 1.932853 -0.147045 0.263267
C -1.380118 -0.574892 0.615829
C 3.432388 -0.177455 -0.225700
C 4.207656 1.184538 -0.058328
C -4.106488 1.810220 0.459949
C -5.592479 1.985030 0.701438
C -6.306123 3.052832 0.268147
H -4.495110 -0.144556 -0.419313
H -3.589480 1.577405 1.414412
H -3.661913 2.722971 0.031971
H -6.089068 1.191053 1.278293
H -7.375223 3.149972 0.487114
H -5.842133 3.860269 -0.310482


