%chk=000001723.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001723

0 1
 S  -0.1428000     -0.5430000     -0.3627000    
 F   -5.702400      -2.235100       1.024600    
 F    5.556600      0.8963000       2.194600    
 F    6.361000       2.474200      0.9253000    
 F    4.214300       2.076900      0.9486000    
 O    5.507900       1.209500      -1.407000    
 O    6.933800     -5.5000000E-02 -9.2299998E-02
 N   -4.127800       2.010100     -0.5957000    
 N   -3.453700      -2.117300     -0.2168000    
 C   -2.762900      5.7200000E-02 -0.9843000    
 C   -3.703500     -0.7269000     -0.3319000    
 C   -1.515800     -0.5319000      -1.555000    
 C   -4.864800     -0.1443000      0.1931000    
 C    4.588200     -0.5966000     -0.1082000    
 C    2.427300      -1.466200     -0.7084000    
 C    5.605600      0.4926000     -0.1639000    
 C   -3.020800       1.408900      -1.088500    
 C    1.111300      -1.303900      -1.417900    
 C   -5.039000       1.246700      3.6800001E-02
 C    3.367900     -0.4462000     -0.7672000    
 C    4.856700      -1.765800      0.6038000    
 C    2.685300      -2.634000     -2.3000001E-03
 C   -5.836500     -0.9108000      0.8587000    
 C    5.432700       1.494400      0.9874000    
 C    3.905300      -2.784400      0.6566000    
 C   -2.051500       2.312800      -1.777900    
 C   -6.192600       1.825000      0.5590000    
 C   -6.980900     -0.3064000       1.370900    
 C   -7.158800       1.063300       1.220800    
 H   -1.684400      -1.545400      -1.933700    
 H   -1.192300      2.1700000E-02  -2.442600    
 H    1.249800     -0.6910000      -2.316300    
 H   0.7530000      -2.282700      -1.757900    
 H    3.139200      0.4644000      -1.314700    
 H    5.793900      -1.903200       1.136100    
 H    1.951000      -3.433200      4.7200002E-02
 H    4.113000      -3.693400       1.213500    
 H   -2.385300       3.354600      -1.708500    
 H   -1.060900       2.266900      -1.317000    
 H   -1.980500       2.071100      -2.842900    
 H   -6.355600       2.896200      0.4544000    
 H   -4.126900      -2.712800      0.2458000    
 H   -2.544000      -2.505600     -0.4191000    
 H   -7.729600     -0.9016000       1.884500    
 H   -8.048600       1.543300       1.617500    
 H    5.850200       2.107900      -1.262700    
 H    7.519900      0.6272000      0.2764000    


%chk=000001723-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001723

0 1
S -0.079237 -0.291965 -0.465549
F -5.224837 -2.173139 1.665226
F 5.648275 0.563278 2.502863
F 6.634751 2.225252 1.298296
F 4.372559 1.966160 1.269352
O 5.685692 1.159218 -1.148583
O 7.042678 -0.350308 0.176910
N -4.579100 1.979317 -0.941816
N -2.936695 -1.774704 0.233408
C -2.821891 0.266776 -1.080462
C -3.508215 -0.579554 -0.162173
C -1.552425 -0.216373 -1.721152
C -4.807065 -0.153305 0.326366
C 4.681586 -0.740495 -0.064728
C 2.463711 -1.437955 -0.848880
C 5.768008 0.320820 0.028726
C -3.385649 1.547196 -1.411665
C 1.195573 -1.150458 -1.614658
C -5.298305 1.143256 -0.102687
C 3.494691 -0.469507 -0.779665
C 4.853014 -1.978265 0.597198
C 2.639586 -2.676997 -0.180880
C -5.654485 -0.886519 1.206848
C 5.570919 1.247615 1.285560
C 3.826943 -2.945336 0.533782
C -2.661243 2.509080 -2.335759
C -6.573083 1.605917 0.358571
C -6.891229 -0.446427 1.659249
C -7.353570 0.830182 1.218686
H -1.666755 -1.250630 -2.097758
H -1.231956 0.436885 -2.544363
H 1.375377 -0.465335 -2.460014
H 0.724070 -2.075995 -1.986848
H 3.383998 0.491061 -1.291466
H 5.783445 -2.179378 1.134415
H 1.844669 -3.431157 -0.224054
H 3.955609 -3.908033 1.039553
H -3.214878 3.459780 -2.350352
H -1.625351 2.700549 -1.999655
H -2.612037 2.122618 -3.372207
H -6.900940 2.588157 0.007585
H -3.433290 -2.376876 0.887346
H -1.924219 -1.885397 0.123266
H -7.480058 -1.073391 2.333974
H -8.326380 1.194139 1.564149
H 6.292050 1.942109 -1.069771
H 7.767690 0.302632 0.364019


