%chk=000091776.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091776

0 1
 S    3.015400     -0.8135000      -1.834300    
 F    3.163700       1.506700      1.6300000E-02
 F    2.091200       3.190000     -0.8324000    
 F    2.078000       2.868700       1.318200    
 F   -2.631900       3.393700      0.3027000    
 F   -3.590100       1.641300       1.146700    
 O   -3.213200     -0.8851000      -1.597700    
 O   -3.375800      -1.310800      0.6587000    
 N  -0.3976000       2.042100      0.1022000    
 N    2.827100      -1.123000      0.7389000    
 C  -0.2505000      -2.203700     -0.5104000    
 C  -0.2263000      -3.021100      0.7959000    
 C  -0.3023000     -0.7107000     -0.2952000    
 C   0.8761000      8.7000001E-03 -0.1939000    
 C   -1.527600     -7.3700003E-02 -0.2008000    
 C   0.7748000       1.376300      3.5000001E-03
 C   -1.549400      -2.841100       1.544400    
 C   0.9382000      -2.617700       1.704000    
 C    2.198300     -0.6537000     -0.2923000    
 C   -1.521300       1.297700     -3.0000000E-03
 C    4.561900      -1.167800     -0.9874000    
 C    4.081800      -1.774000      0.3177000    
 C    2.003700       2.218300      0.1218000    
 C   -2.779900     -0.8129000     -0.3032000    
 C   -2.805300       2.053300      0.1081000    
 C   -4.438900      -1.588000      -1.828400    
 H   -1.091900      -2.533500      -1.132800    
 H   0.6224000      -2.477600      -1.113400    
 H  -0.1210000      -4.083400      0.5418000    
 H   -2.381000      -3.208200      0.9406000    
 H   -1.664100      -1.841600       1.967000    
 H   -1.541000      -3.505400       2.419900    
 H    1.866800      -3.010400       1.296700    
 H   0.8331000      -3.162100       2.653700    
 H   0.9316000      -1.569300       2.001900    
 H    5.098000     -0.2302000     -0.8114000    
 H    5.201500      -1.848500      -1.554600    
 H    3.916400      -2.853100      0.2107000    
 H    4.842200      -1.640800       1.094500    
 H   -3.387000       1.944700     -0.8126000    
 H   -4.340400      -2.630500      -1.511700    
 H   -4.649000      -1.563400      -2.900800    
 H   -5.259700      -1.098100      -1.296300    


%chk=000091776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091776

0 1
S 2.797445 -0.875425 -2.085093
F 3.134628 2.038946 -0.395579
F 1.816850 3.639021 0.488036
F 2.648178 2.018594 1.826267
F -3.357259 2.198823 -1.021976
F -2.500462 3.535648 0.641640
O -2.886234 -1.320688 -1.567946
O -3.821969 -0.489289 0.389849
N -0.311893 2.058072 0.437875
N 3.143483 -0.907610 0.623816
C -0.188578 -2.223539 -0.448357
C -0.401027 -3.117841 0.834015
C -0.253887 -0.722295 -0.223867
C 0.956319 0.027765 -0.059286
C -1.483812 -0.002463 -0.131343
C 0.863504 1.403853 0.282951
C -1.870343 -3.177303 1.311326
C 0.532260 -2.741037 2.007477
C 2.287097 -0.598732 -0.295407
C -1.458360 1.380832 0.212855
C 4.559820 -1.157084 -1.431482
C 4.402561 -1.484775 0.086029
C 2.095023 2.271826 0.545823
C -2.833508 -0.626697 -0.370121
C -2.752322 2.190208 0.299534
C -4.220570 -1.871258 -1.930851
H -0.939254 -2.516490 -1.201294
H 0.805342 -2.472162 -0.860073
H -0.124296 -4.137728 0.493171
H -2.558302 -3.459729 0.492522
H -2.208433 -2.213791 1.732440
H -1.973154 -3.933362 2.111646
H 1.592819 -2.702258 1.706093
H 0.430674 -3.481463 2.822238
H 0.274006 -1.750476 2.426497
H 5.118312 -0.223430 -1.597359
H 5.016231 -1.983458 -1.996320
H 4.365880 -2.579137 0.257232
H 5.252854 -1.083656 0.663428
H -3.504030 1.779245 0.991343
H -4.540951 -2.612655 -1.179866
H -4.069279 -2.334231 -2.915063
H -4.958362 -1.054173 -1.979518


