%chk=000126981.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126981

0 1
 S   -1.551300       1.092500     -0.8251000    
 F    7.262500      -1.197200     -0.5749000    
 F    7.152600     -0.3523000       1.440600    
 O    5.994500      0.6500000     -0.2304000    
 O    5.376800      -1.513200      0.6427000    
 O   -1.793800       2.551700     -0.4933000    
 O   -6.775500      -1.304400     -0.8076000    
 N    1.199400       1.585100     -0.8816000    
 N   0.6243000     -0.4060000     -7.8100003E-02
 N   -4.260700       1.245000       1.303200    
 C    2.382400      0.9692000     -0.5587000    
 C    1.994900     -0.2779000     -5.7200000E-02
 C   0.1812000      0.7257000     -0.5770000    
 C    4.642700      0.4619000     -0.2241000    
 C    4.290500     -0.7745000      0.2749000    
 C    3.712400       1.389100     -0.6628000    
 C    2.972900      -1.192800      0.3789000    
 C   -2.284500      0.1121000      0.5167000    
 C   -3.780000      0.2396000      0.5435000    
 C   -4.562400     -0.6398000     -0.1804000    
 C    6.433500     -0.6002000      0.3176000    
 C   -5.941700     -0.4754000     -0.1208000    
 C   -3.960600      -1.730800      -1.000200    
 C   -6.481600      0.5482000      0.6501000    
 C   -5.606000       1.373700       1.336900    
 C   -7.222400      -2.479300     -0.1331000    
 H    1.101200       2.511500      -1.275200    
 H    3.987100       2.359700      -1.054900    
 H   -1.872600      0.4881000       1.461200    
 H   -1.963100     -0.9299000      0.4309000    
 H    2.709400      -2.167300      0.7727000    
 H   -4.684200      -2.199000      -1.675300    
 H   -3.161300      -1.353100      -1.644900    
 H   -3.561800      -2.517400     -0.3512000    
 H   -7.553200      0.7014000      0.7155000    
 H   -5.976500       2.187200       1.952100    
 H   -7.836500      -2.210600      0.7323000    
 H   -6.374600      -3.093800      0.1856000    
 H   -7.833900      -3.061200     -0.8282000    


%chk=000126981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126981

0 1
S -1.664099 2.309055 -0.591749
F 6.801199 -1.669457 -1.319368
F 6.481499 -2.126090 0.853496
O 5.618247 -0.135744 -0.013257
O 4.645265 -2.192509 -0.588652
O -1.011791 3.767872 -0.054605
O -5.350406 -2.438913 -0.049879
N 1.053375 1.995571 -0.215520
N 0.095251 -0.007715 -0.779420
N -4.881993 1.735855 0.435358
C 2.109773 1.082713 -0.258373
C 1.490543 -0.180898 -0.614779
C -0.093421 1.288805 -0.528273
C 4.210080 0.047737 -0.176789
C 3.618280 -1.193828 -0.524639
C 3.499376 1.234387 -0.027466
C 2.259679 -1.367145 -0.755784
C -2.564280 1.497444 1.039195
C -3.846115 0.848279 0.638439
C -3.958754 -0.561934 0.474696
C 5.870103 -1.525961 -0.268735
C -5.245704 -1.055057 0.094238
C -2.798172 -1.511548 0.693021
C -6.319955 -0.157457 -0.114681
C -6.081503 1.223699 0.065216
C -6.650203 -2.995475 -0.446209
H 0.998912 3.000125 0.008221
H 3.978019 2.177992 0.239523
H -2.715320 2.417977 1.622131
H -1.807332 0.830596 1.470789
H 1.811768 -2.324873 -1.024381
H -3.095751 -2.542442 0.451254
H -1.926519 -1.243078 0.067768
H -2.466086 -1.496337 1.749101
H -7.315137 -0.500033 -0.408797
H -6.889544 1.947184 -0.092025
H -6.963109 -2.612859 -1.436195
H -7.427570 -2.768918 0.307966
H -6.488508 -4.081421 -0.500437


