%chk=000122028.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122028

0 1
 S    3.350200      -1.177700      -1.326700    
 F   -4.274900      -1.626900     -2.3000000E-02
 F   -2.593800      -2.129000      -1.298000    
 F   -2.438800      -2.392700      0.8549000    
 O    1.322100       2.782100      0.1934000    
 N    1.859000      0.6433000      -2.598400    
 C    1.862800      0.5099000     -0.1555000    
 C    2.446600     -0.2325000      0.8848000    
 C    3.290900      -1.199400      0.3845000    
 C   0.9105000       1.620000      5.5300001E-02
 C    2.244400      0.1275000      -1.402400    
 C  -0.5214000       1.374200      0.1191000    
 C    2.200100     -1.8300001E-02   2.332900    
 C   -1.013600      7.6499999E-02 -1.9300001E-02
 C   -2.387100     -0.1588000      4.2199999E-02
 C    4.104100      -2.193700       1.119800    
 C   -1.402800       2.436800      0.3189000    
 C   -3.268400      0.9037000      0.2421000    
 C   -2.776200       2.201600      0.3803000    
 C   -2.913800      -1.546500     -0.1048000    
 H    1.976600       1.030600       2.552800    
 H    1.351300     -0.6251000       2.664800    
 H    3.072200     -0.2911000       2.936100    
 H  -0.3592000     -0.7763000     -0.1749000    
 H    4.970100      -1.707900       1.581700    
 H    3.514300      -2.664000       1.914000    
 H    4.474600      -2.997000      0.4741000    
 H   -1.047600       3.457900      0.4296000    
 H   -4.341400      0.7407000      0.2930000    
 H   -3.462600       3.028800      0.5358000    
 H    1.204100       1.415000      -2.674700    
 H    2.213000      0.2724000      -3.474200    


%chk=000122028-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122028

0 1
S 3.217885 -1.302320 -1.238075
F -4.790132 -1.310428 -0.663971
F -3.187237 -1.583734 -2.241308
F -2.889433 -2.453351 -0.171752
O 0.967023 2.023316 1.773470
N 0.966773 0.007779 -2.061151
C 1.703427 0.216038 0.357081
C 2.839439 -0.242657 1.180107
C 3.725229 -1.064334 0.513791
C 0.700249 1.170651 0.858811
C 1.768460 -0.261544 -0.972365
C -0.722222 1.149504 0.328946
C 2.981990 0.122147 2.642212
C -1.368202 -0.056458 -0.038155
C -2.730183 -0.038822 -0.416998
C 4.968271 -1.779007 0.964302
C -1.461883 2.361508 0.323910
C -3.460079 1.172930 -0.439661
C -2.817271 2.373693 -0.064803
C -3.388506 -1.316904 -0.850196
H 3.132228 1.207963 2.760708
H 2.062344 -0.125437 3.203072
H 3.823930 -0.412622 3.111931
H -0.818965 -1.002986 0.000873
H 5.854960 -1.471533 0.377649
H 5.178698 -1.553611 2.022964
H 4.871800 -2.877618 0.869212
H -0.957149 3.276021 0.651993
H -4.515767 1.172303 -0.728162
H -3.378854 3.313146 -0.068724
H 0.125572 0.570472 -1.955865
H 1.162904 -0.400003 -2.971648


