%chk=000058829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058829

0 1
 F   0.4957000       4.590900      0.4977000    
 F   -1.334200       3.626500     -0.2134000    
 F   0.3855000       3.829100      -1.549700    
 O  -0.3955000      -1.240000      1.7800000E-02
 O    2.006400      0.1310000       2.309800    
 O  -1.2700000E-02  -1.581400       2.263200    
 N   -4.515200     -0.7711000     -0.5551000    
 C   -1.780500      -1.541900      0.1286000    
 C   -2.357900      -1.745300      -1.268500    
 C   -2.507400     -0.4040000      0.8399000    
 C   -3.876200      -1.913900      -1.223600    
 C   -4.021000     -0.6139000      0.8204000    
 C   -5.970000     -0.9227000     -0.5617000    
 C   0.2735000      -1.045300       1.199100    
 C    1.434900     -6.9899999E-02   1.013900    
 C    2.500000     -0.6899000      0.1112000    
 C    2.467100     -0.4122000      -1.237400    
 C    3.455300      -1.504000      0.6781000    
 C   0.9317000       1.238900      0.5475000    
 C    3.439800     -0.9781000      -2.061700    
 C    4.428000      -2.069600     -0.1464000    
 C    4.420100      -1.806700      -1.516300    
 C   0.5172000       2.304300      0.1785000    
 C   1.5500000E-02   3.589200     -0.2721000    
 H   -1.897800      -2.476200      0.6936000    
 H   -1.894400      -2.622000      -1.736800    
 H   -2.092400     -0.8926000      -1.907900    
 H   -2.259200      0.5524000      0.3605000    
 H   -2.179400     -0.3081000       1.880600    
 H   -4.241800      -1.992400      -2.254600    
 H   -4.127500      -2.854400     -0.7159000    
 H   -4.279600      -1.488700       1.431600    
 H   -4.493200      0.2599000       1.285800    
 H   -6.345300     -0.9891000      -1.589000    
 H   -6.450200     -4.7899999E-02 -0.1092000    
 H   -6.296100      -1.815900     -1.6700000E-02
 H    1.706700      0.2110000      -1.695900    
 H    3.473200      -1.735900       1.738200    
 H    1.330900      0.5313000       2.884400    
 H    3.431000     -0.7777000      -3.129200    
 H    5.189400      -2.718100      0.2774000    
 H    5.176100      -2.248900      -2.158400    


%chk=000058829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058829

0 1
F 1.747169 5.055820 0.645622
F -0.430834 4.560771 0.236269
F 1.112160 4.344547 -1.416314
O -0.555282 -0.527433 0.212282
O 2.261202 0.219910 2.424578
O -0.106492 -1.000378 2.455537
N -4.661839 -1.242249 -0.660333
C -1.917202 -1.194514 0.282147
C -2.250964 -1.639792 -1.142775
C -2.951913 -0.196702 0.820579
C -3.679882 -2.228245 -1.166686
C -4.358154 -0.831993 0.730136
C -6.056106 -1.698558 -0.822658
C 0.201927 -0.512148 1.339804
C 1.588155 0.206386 1.131844
C 2.433021 -0.573868 0.096236
C 2.208431 -0.415144 -1.292279
C 3.420974 -1.473382 0.556423
C 1.334624 1.598396 0.698241
C 2.970475 -1.160907 -2.217245
C 4.179434 -2.219607 -0.373661
C 3.956453 -2.067230 -1.761077
C 1.135366 2.765818 0.369323
C 0.901944 4.136718 -0.025905
H -1.818515 -2.058569 0.967622
H -1.521613 -2.391591 -1.494485
H -2.206302 -0.765960 -1.817054
H -2.927869 0.720031 0.204422
H -2.727458 0.070777 1.868578
H -3.949139 -2.493292 -2.205092
H -3.701618 -3.177757 -0.566334
H -4.419740 -1.701326 1.438751
H -5.113533 -0.093425 1.053951
H -6.254071 -1.916515 -1.887208
H -6.748246 -0.898648 -0.505131
H -6.295528 -2.618230 -0.230881
H 1.444604 0.283198 -1.650154
H 3.603089 -1.558742 1.631032
H 1.607627 -0.133513 3.096054
H 2.798522 -1.031136 -3.291329
H 4.948597 -2.911788 -0.013831
H 4.549028 -2.643031 -2.480695


