%chk=000064841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064841

0 1
 S    4.867100      -2.653300      0.5784000    
 F    5.761400      -3.009800     -0.6837000    
 O    2.720100       3.851900      0.6345000    
 O    5.804000      -2.280500       1.618700    
 O    3.943500      -3.760500      0.7186000    
 N   -3.193500     -0.4144000      0.2519000    
 N   -3.698600      -2.657300     -0.7177000    
 N   -5.152200      -1.632700      0.8335000    
 N   -4.755100      0.4261000       1.815400    
 N    1.749300       2.218700     -0.7491000    
 N   -5.688000      -3.686800     -0.1670000    
 C   -2.734200      -1.549900     -0.5796000    
 C   -2.496100      0.8094000      0.1940000    
 C   -2.437900      -1.105200      -2.025000    
 C   -1.475000      -2.190600      2.9700000E-02
 C   -4.387200     -0.5774000      0.9474000    
 C   -1.106500       3.249000      7.8599997E-02
 C   -2.760300       1.738500     -0.8266000    
 C   -1.522000       1.126700       1.155700    
 C  -0.3681000       4.543400      1.6899999E-02
 C   -2.070300       2.949500     -0.8839000    
 C  -0.8322000       2.337700       1.098400    
 C   -4.801500      -2.644700     -3.5300002E-02
 C   0.9261000       4.485400     -0.8101000    
 C    1.917400       3.493100     -0.2227000    
 C    2.487300       1.052700     -0.4383000    
 C    2.899900      -1.288100     -0.7653000    
 C    3.933300      -1.230700      0.1700000    
 C    2.171900     -0.1383000      -1.071600    
 C    3.510400       1.126200      0.4925000    
 C    4.238600     -2.3399999E-02  0.7987000    
 C    2.548600      -2.564500      -1.457100    
 H   -2.173900      -1.968700      -2.648800    
 H   -3.317300     -0.6428000      -2.487000    
 H   -1.595700     -0.4085000      -2.087000    
 H   -1.151800      -3.065100     -0.5473000    
 H  -0.6365000      -1.487300      6.1500002E-02
 H   -1.665800      -2.525900       1.055900    
 H   -3.522200       1.535000      -1.574800    
 H   -1.298500      0.4270000       1.957900    
 H   -1.020900       5.321600     -0.3988000    
 H  -0.1331000       4.875300       1.037000    
 H   -2.294500       3.652000      -1.682100    
 H  -8.7800004E-02   2.558900       1.858700    
 H    1.402300       5.472600     -0.8247000    
 H   0.7075000       4.222300      -1.852100    
 H   -5.612900      0.3523000       2.352000    
 H   -4.200600       1.261700       1.959900    
 H    1.019900       2.090500      -1.447100    
 H   -5.495700      -4.465300     -0.7878000    
 H   -6.558300      -3.705600      0.3533000    
 H    1.362500     -0.1771000      -1.796500    
 H    3.807200       2.021500       1.018500    
 H    5.037900      5.5799998E-02   1.529600    
 H    1.912600      -2.375000      -2.330200    
 H    3.435200      -3.077500      -1.841700    
 H    1.984400      -3.224400     -0.7911000    


%chk=000064841-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064841

0 1
S 5.142383 -2.617339 0.443061
F 5.479025 -3.174647 -1.313718
O 3.016309 4.046122 0.259848
O 6.550082 -2.149744 1.062753
O 4.316173 -3.830437 1.101334
N -3.343759 -0.420819 0.045026
N -3.811152 -2.623373 -1.007685
N -5.280644 -1.684399 0.720293
N -4.909189 0.428044 1.624384
N 1.803398 2.295797 -0.733962
N -5.883818 -3.585133 -0.485999
C -2.749662 -1.685153 -0.631280
C -2.601901 0.812295 0.100608
C -2.003922 -1.275128 -1.916987
C -1.776987 -2.362742 0.375929
C -4.506185 -0.595426 0.790378
C -1.133501 3.270049 0.196311
C -2.772807 1.794500 -0.910317
C -1.701233 1.075677 1.167027
C -0.330654 4.563584 0.214315
C -2.043744 3.001176 -0.862465
C -0.980871 2.290311 1.211336
C -4.919484 -2.616635 -0.276045
C 0.866473 4.573864 -0.796563
C 2.002824 3.638116 -0.377331
C 2.617442 1.175204 -0.447865
C 2.839955 -1.294585 -0.609409
C 4.090435 -1.128931 0.038226
C 2.121215 -0.101779 -0.836061
C 3.884296 1.282500 0.190384
C 4.625343 0.111665 0.427964
C 2.290682 -2.632620 -1.058563
H -1.631451 -2.196358 -2.394853
H -2.693851 -0.783139 -2.622690
H -1.150893 -0.604073 -1.708246
H -1.391206 -3.295729 -0.070667
H -0.920034 -1.707453 0.621344
H -2.311554 -2.625384 1.306065
H -3.483916 1.599533 -1.719613
H -1.570700 0.326510 1.955478
H -0.985711 5.415173 -0.049829
H 0.064847 4.762602 1.226860
H -2.197590 3.753156 -1.646980
H -0.290095 2.477395 2.042233
H 1.293843 5.589585 -0.832582
H 0.495505 4.321782 -1.808639
H -5.799612 0.303411 2.099327
H -4.341880 1.255671 1.783785
H 0.909783 2.090904 -1.190273
H -5.714022 -4.314658 -1.171886
H -6.759607 -3.523659 0.023988
H 1.145870 -0.175577 -1.333287
H 4.261684 2.261078 0.488991
H 5.607195 0.163416 0.908935
H 1.297915 -2.511321 -1.520068
H 2.968375 -3.103581 -1.793489
H 2.204781 -3.335801 -0.211632


