%chk=000155049.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155049

0 1
 S   -1.908300     -0.1250000      0.3990000    
 F   0.2042000      -2.441700      0.4298000    
 F    1.450700      -1.583500      -1.127000    
 F    2.401400      -1.329000       1.333600    
 F   0.6212000     -0.3029000       2.036600    
 F  -0.2311000      0.4699000      -1.492800    
 F   -1.128500      -1.500600      -1.648300    
 F    1.005500       1.654200      9.7199999E-02
 F    2.600400       1.434000       1.554300    
 F    3.384400       2.022100     -0.9548000    
 F    2.333300      0.2963000      -1.757500    
 F    4.953900     -9.9999997E-05  -1.679300    
 F    3.922200      -1.406300     -0.3858000    
 F    6.285700     -0.5088000      0.6437000    
 F    5.622700       1.552900      0.4529000    
 F    4.583400      0.1990000       1.810100    
 O   -1.591900       1.198600      0.9007000    
 O   -2.118200      -1.223500       1.322900    
 O   -6.008700     -0.3094000     -5.5000000E-03
 O   -7.161400       1.900700       1.265600    
 N   -3.273200      3.1000001E-03 -0.6355000    
 C   0.5928000      -1.253300     -0.1157000    
 C    1.392100     -0.4979000      0.9391000    
 C  -0.6236000     -0.6011000     -0.7556000    
 C    2.011100      0.8225000      0.4980000    
 C    3.002500      0.7465000     -0.6565000    
 C   -4.023000      -1.225000     -0.9942000    
 C   -3.220300      0.9783000      -1.751700    
 C    4.257400     -9.7800002E-02 -0.5097000    
 C   -5.149300      -1.442200     -3.9999999E-04
 C    5.194300      0.2798000      0.6093000    
 C   -4.352300       1.976100      -1.613100    
 C   -7.082400     -0.4656000      0.9120000    
 C   -7.947000      0.7798000      0.8786000    
 H   -4.452200      -1.137600      -1.998900    
 H   -3.358800      -2.094700      -1.009200    
 H   -2.284000       1.543500      -1.716800    
 H   -3.242300      0.4831000      -2.728000    
 H   -4.750600      -1.590600       1.009200    
 H   -5.717700      -2.335600     -0.2838000    
 H   -5.323900       1.497100      -1.765200    
 H   -4.354200       2.440700     -0.6215000    
 H   -4.253100       2.768400      -2.361900    
 H   -6.672800     -0.6031000       1.919500    
 H   -7.680500      -1.342100      0.6399000    
 H   -8.792000      0.6851000       1.566600    
 H   -8.317700      0.9650000     -0.1344000    
 H   -7.741200       2.680600       1.230500    


%chk=000155049-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155049

0 1
S -1.890434 0.245171 1.040471
F 0.289679 -2.385719 0.516406
F 1.426312 -1.658151 -1.322364
F 2.780054 -1.581865 1.087579
F 1.166387 -0.260195 2.026582
F -0.171986 0.746749 -1.260044
F -1.329314 -1.216342 -1.336169
F 1.705336 1.801309 0.373127
F 3.505637 0.990588 1.515638
F 3.998343 2.160528 -0.918284
F 2.647897 0.673924 -1.996288
F 5.297072 0.278539 -2.356668
F 4.282378 -1.448836 -1.261379
F 7.013292 -0.796503 -0.633277
F 6.319480 1.170345 0.256090
F 5.557538 -0.799485 1.097723
O -1.544853 1.813035 1.209986
O -1.813247 -0.823337 2.253781
O -6.360669 -0.651371 -0.290155
O -8.114354 1.746885 -0.602832
N -3.509063 0.086365 0.272236
C 0.750427 -1.219107 -0.141357
C 1.826793 -0.572264 0.814233
C -0.502791 -0.400964 -0.528719
C 2.628334 0.736768 0.427710
C 3.504255 0.834428 -0.882361
C -4.088636 -1.276911 0.282032
C -3.807567 1.063472 -0.820589
C 4.740549 -0.121753 -1.118850
C -5.544428 -1.261955 0.760237
C 5.919372 -0.127862 -0.072712
C -4.568728 2.298869 -0.311733
C -7.773573 -0.533534 0.090545
C -8.471776 0.357426 -0.925010
H -4.034650 -1.732208 -0.725805
H -3.502390 -1.895899 0.985943
H -2.866190 1.371724 -1.317199
H -4.414739 0.511878 -1.559732
H -5.630086 -0.690206 1.707535
H -5.869951 -2.311816 0.941166
H -5.563238 2.012960 0.066834
H -3.994690 2.814207 0.476674
H -4.713596 3.005521 -1.151189
H -7.870262 -0.078635 1.099122
H -8.245114 -1.541006 0.105762
H -9.569595 0.206204 -0.844599
H -8.142077 0.071965 -1.945340
H -8.392140 2.346962 -1.338755


