%chk=000060539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060539

0 1
 S    5.131300      0.4506000      0.4841000    
 F    3.679200       2.568300      0.8723000    
 F    5.046300       2.680200     -0.8230000    
 F    3.234900       1.477800     -0.9674000    
 O  -0.5263000      -1.161500     -0.5430000    
 O    6.061900      0.9562000       1.475900    
 O    5.607300     -0.3070000     -0.6560000    
 N    3.872200     -0.3915000       1.301500    
 N   -3.219200     -0.2038000      0.7560000    
 C   -2.357100      0.3057000     -0.1535000    
 C    2.971400      -1.185800      0.5292000    
 C   -5.027500      0.7265000     -0.5369000    
 C  -0.9061000      5.4099999E-02  8.9400001E-02
 C   -4.536600      2.2000000E-03  0.5695000    
 C   0.7754000      -1.559400     -0.3850000    
 C    1.646700     -0.7800000      0.3674000    
 C   -2.742000       1.026400      -1.265800    
 C   -4.100100       1.237000      -1.455200    
 C    3.415900      -2.368200     -6.2500000E-02
 C    1.211100      -2.739000     -0.9779000    
 C   -6.409300      0.9222000     -0.7005000    
 C    2.535800      -3.144800     -0.8160000    
 C   -5.458300     -0.5048000       1.481400    
 C    4.234200       1.845000     -0.1299000    
 C   -7.308800      0.4040000      0.2269000    
 C   -6.832300     -0.3103000       1.319100    
 H  -0.7629000     -1.5699999E-02   1.176000    
 H  -0.3274000      0.9008000     -0.3027000    
 H    1.361500      0.1493000      0.8489000    
 H    3.420000      0.1315000       2.063600    
 H   -2.021700       1.417800      -1.975700    
 H   -4.431700       1.801200      -2.323900    
 H    4.441300      -2.704800      6.5300003E-02
 H   0.5286000      -3.347100      -1.564700    
 H   -6.792800       1.480000      -1.552000    
 H    2.881000      -4.067000      -1.274100    
 H   -5.110500      -1.068000       2.345500    
 H   -8.375700      0.5573000      9.7199999E-02
 H   -7.526900     -0.7182000       2.047700    


%chk=000060539-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060539

0 1
S 5.348006 0.347726 1.065340
F 3.018684 2.059299 1.198432
F 4.948630 3.266264 1.255035
F 4.210757 2.402794 -0.716351
O -0.446049 -1.146277 -0.918899
O 6.103294 0.571318 2.473936
O 6.135765 -0.020395 -0.294551
N 3.958544 -1.062725 1.360618
N -3.270675 0.331232 0.866284
C -2.569555 -0.268776 -0.116182
C 3.124201 -1.346229 0.254027
C -5.309232 0.103801 -0.533597
C -1.088945 -0.422262 0.187340
C -4.631435 0.525674 0.677018
C 0.926378 -1.393936 -0.823771
C 1.739217 -0.994824 0.258358
C -3.150832 -0.719449 -1.345537
C -4.519092 -0.530308 -1.546274
C 3.696316 -2.037684 -0.850928
C 1.494117 -2.083869 -1.929351
C -6.716946 0.334354 -0.663975
C 2.870131 -2.389745 -1.937838
C -5.384417 1.162974 1.714447
C 4.312266 2.190681 0.652086
C -7.427861 0.958489 0.363413
C -6.756610 1.374645 1.558983
H -0.962438 -0.980257 1.136719
H -0.628475 0.579698 0.305379
H 1.331218 -0.432146 1.104154
H 3.452809 -0.707264 2.196427
H -2.514366 -1.198498 -2.091617
H -4.998172 -0.862659 -2.474677
H 4.758995 -2.290953 -0.832531
H 0.840578 -2.366601 -2.759905
H -7.227624 0.014480 -1.580347
H 3.298406 -2.919940 -2.794095
H -4.849628 1.472028 2.617778
H -8.504245 1.133532 0.260612
H -7.328917 1.863008 2.355239


