%chk=000005517.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005517

0 1
 F   -2.265700       3.704400      3.4200002E-02
 F   0.9566000      -1.958600      -2.230900    
 F  -0.1227000      -5.838000      0.2537000    
 O    2.766600       3.386000      0.1069000    
 O    5.083500       2.353100     -0.5800000    
 O    5.511700      0.4147000      0.5555000    
 N   -3.106400       1.114200      5.7999999E-03
 N   -6.027200      -1.051000      8.8200003E-02
 N  -0.8905000      0.3434000      5.5500001E-02
 N    1.402000     -0.4784000      0.1052000    
 C   -5.144700      5.2999998E-03 -0.3762000    
 C   -5.433100       1.361100      0.2600000    
 C   -3.676300     -0.2333000     -6.3999998E-03
 C   -4.147500       2.140700     -1.6200000E-02
 C   -1.755100       1.383600      3.9200000E-02
 C   -1.371000       2.708600      5.2700002E-02
 C   0.4448000      0.6004000      9.8099999E-02
 C   0.9048000       1.928200      9.6400000E-02
 C  -1.2700000E-02   2.983000      7.8800000E-02
 C    2.354300       2.233000      9.4200000E-02
 C    2.754700     -0.1500000      7.7699997E-02
 C    3.281200       1.080100      7.1900003E-02
 C    1.008700      -1.859000      0.1414000    
 C   0.7954000      -2.566700      -1.047100    
 C   0.8361000      -2.510200       1.368100    
 C    4.738700       1.215500      5.9500001E-02
 C   0.4143000      -3.908100      -1.009100    
 C   0.4551000      -3.851400       1.405900    
 C   0.2442000      -4.550300      0.2173000    
 H   -5.236300      9.4499998E-02  -1.466300    
 H   -5.581800       1.261600       1.343200    
 H   -6.316200       1.852300     -0.1597000    
 H   -3.569800     -0.6829000      0.9882000    
 H   -3.192800     -0.8843000     -0.7436000    
 H   -4.193700       2.628000     -0.9966000    
 H   -4.047800       2.883600      0.7819000    
 H   -5.968100      -1.133600       1.102500    
 H   -5.713300      -1.946400     -0.2845000    
 H   0.3147000       4.018700      7.9499997E-02
 H    3.394300      -1.029100      6.5399997E-02
 H   0.9968000      -1.976600       2.301600    
 H   0.2499000      -4.452100      -1.934400    
 H   0.3222000      -4.351800       2.360500    
 H    6.055900       2.479600     -0.6088000    


%chk=000005517-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005517

0 1
F -2.186236 3.905743 -0.262315
F -0.007901 -1.530510 -2.085246
F -0.528709 -5.656961 0.334794
O 2.915426 3.556408 -0.028195
O 5.427967 2.346054 0.044519
O 5.499040 0.050056 0.313133
N -3.076540 1.125787 -0.068006
N -5.820670 -1.371514 0.115211
N -0.837290 0.462434 0.019964
N 1.380447 -0.346766 0.096390
C -5.022964 -0.244876 -0.367781
C -5.433974 1.102702 0.279131
C -3.487348 -0.299259 -0.081747
C -4.253894 2.048182 -0.022760
C -1.753250 1.480267 -0.061203
C -1.265260 2.838000 -0.140930
C 0.484060 0.754938 0.016480
C 1.033099 2.064204 -0.033611
C 0.087447 3.126245 -0.120054
C 2.491993 2.356672 0.008967
C 2.740761 -0.121330 0.143855
C 3.332230 1.137261 0.106479
C 0.877768 -1.698853 0.166305
C 0.184105 -2.278313 -0.920066
C 1.103777 -2.488650 1.315624
C 4.816912 1.104615 0.167568
C -0.301114 -3.593722 -0.887620
C 0.645547 -3.821656 1.384782
C -0.054020 -4.337223 0.280222
H -5.172119 -0.171990 -1.462034
H -5.546255 0.960912 1.371601
H -6.391035 1.477624 -0.116120
H -3.289646 -0.775047 0.901180
H -2.914148 -0.858979 -0.841113
H -4.381360 2.558280 -0.996164
H -4.118580 2.823663 0.747896
H -5.778341 -1.532565 1.125567
H -5.756335 -2.232667 -0.431699
H 0.457627 4.154730 -0.175542
H 3.379786 -1.007513 0.202462
H 1.632207 -2.045199 2.165209
H -0.828843 -4.024900 -1.741561
H 0.815302 -4.441381 2.268436
H 6.414132 2.206894 0.097192


