%chk=000049961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049961

0 1
 F   -5.241900      9.1799997E-02   2.187800    
 F   -5.724500     -0.2419000     -7.2600000E-02
 O  -0.8568000     -0.9162000     -0.8099000    
 O   -3.034100      -1.535600     -0.3363000    
 O    4.109700     -0.3396000      0.6999000    
 N   -1.132200      -2.079100       2.369800    
 C   -2.071800       1.792400      -1.073600    
 C   -3.502100       1.435800     -0.7932000    
 C   -2.616600      0.4728000      -1.517400    
 C   -1.818100       2.859100      -2.085200    
 C   -1.073900       1.775300      3.6200002E-02
 C   -3.926200       1.100300      0.5580000    
 C   -2.209200     -0.7737000     -0.8201000    
 C   -4.960800      0.3199000      0.8879000    
 C  -0.3699000      -2.095300     -0.1553000    
 C    1.111700      -2.182700     -0.3003000    
 C  -0.8028000      -2.085100       1.257100    
 C    1.927600      -1.208200      0.2746000    
 C    1.681600      -3.239300      -1.010600    
 C    3.313300      -1.290400      0.1392000    
 C    3.067400      -3.321200      -1.146000    
 C    3.883300      -2.346800     -0.5712000    
 C    3.740700      0.9855000      0.5395000    
 C    3.335700       1.425800     -0.7075000    
 C    3.787000       1.834500       1.630500    
 C    2.964000       2.760500     -0.8691000    
 C    3.415200       3.169200       1.468800    
 C    3.003700       3.632200      0.2191000    
 H   -4.264900       1.936800      -1.381900    
 H   -2.819600      0.3379000      -2.575500    
 H  -0.8203000       2.745800      -2.522600    
 H   -1.877800       3.850600      -1.623700    
 H   -2.542200       2.831700      -2.907100    
 H   -1.060600       2.750400      0.5377000    
 H  -6.6600002E-02   1.606800     -0.3608000    
 H   -1.246600       1.029600      0.8173000    
 H   -3.384000       1.550600       1.385800    
 H  -0.8303000      -2.960200     -0.6523000    
 H    1.474300     -0.3984000      0.8416000    
 H    1.060800      -4.006700      -1.465000    
 H    3.511300      -4.143600      -1.699300    
 H    4.962100      -2.415800     -0.6805000    
 H    3.317700      0.7731000      -1.575400    
 H    4.106500       1.475300       2.604000    
 H    2.647000       3.122100      -1.843000    
 H    3.446000       3.847800       2.316200    
 H    2.714600       4.671400      9.3199998E-02


%chk=000049961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049961

0 1
F -4.691666 -2.285622 -3.217601
F -4.395513 -0.217310 -4.092574
O -0.614056 0.654605 0.778742
O -2.400427 -0.858388 0.823987
O 4.660332 -1.003437 -0.561968
N 1.305411 1.148944 3.543991
C -4.081186 1.661251 -0.199991
C -3.646424 0.899571 -1.462661
C -2.572862 1.282968 -0.380351
C -4.390006 3.148964 -0.373759
C -4.929693 0.973983 0.865825
C -4.007902 -0.516825 -1.710803
C -1.923067 0.242222 0.443191
C -4.342602 -0.977397 -2.928594
C 0.172307 -0.322200 1.634315
C 1.149303 -1.101633 0.768009
C 0.802577 0.497418 2.681839
C 2.456591 -0.618869 0.524692
C 0.710416 -2.316294 0.185180
C 3.315931 -1.358389 -0.318207
C 1.587416 -3.045416 -0.647817
C 2.890601 -2.572294 -0.905226
C 5.093288 0.350525 -0.490457
C 4.350340 1.412872 -1.054891
C 6.365979 0.566237 0.078503
C 4.895981 2.715611 -1.029011
C 6.900644 1.873502 0.091583
C 6.167927 2.952321 -0.456654
H -3.569936 1.509494 -2.370244
H -1.902284 2.105107 -0.642831
H -4.208600 3.698288 0.568519
H -5.451660 3.288362 -0.650979
H -3.770261 3.611860 -1.163042
H -5.990033 0.972108 0.552133
H -4.859174 1.526426 1.820838
H -4.622072 -0.065792 1.056665
H -3.990823 -1.234681 -0.886185
H -0.565946 -1.010817 2.090206
H 2.803488 0.306343 0.996612
H -0.305189 -2.678014 0.377986
H 1.256041 -3.986459 -1.098552
H 3.587948 -3.123437 -1.542838
H 3.374204 1.225953 -1.513691
H 6.913862 -0.283636 0.495990
H 4.326803 3.544236 -1.464331
H 7.887487 2.047868 0.533817
H 6.583904 3.965076 -0.440563


