%chk=000053404.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053404

0 1
 F  -0.8238000       3.231900      -1.459100    
 F  -0.9967000       4.193700      0.4908000    
 F   0.5669000       4.812100     -0.8956000    
 O  -0.4537000     -0.9750000      -1.031600    
 O    3.577300      -3.087600      0.5796000    
 O   0.8978000      -3.345300     -0.5269000    
 O    3.289900       1.573500      0.5674000    
 O    1.545600       2.982600       1.118700    
 N   -3.977700      -1.098900      4.2199999E-02
 N   0.7168000       1.480100     -0.4954000    
 C   -4.243900      0.2247000      0.6230000    
 C   -5.164400      -1.625000     -0.6468000    
 C   -5.400600      0.1663000       1.621900    
 C   -6.351200      -1.744000      0.3107000    
 C   -6.658200     -0.4099000      0.9813000    
 C   -2.839700      -1.035600     -0.8745000    
 C   -1.529500      -1.019300     -0.1034000    
 C   0.8124000     -0.9354000     -0.5085000    
 C    1.414600      0.2950000     -0.2332000    
 C    1.478000      -2.139800     -0.2620000    
 C    3.396900     -0.8359000      0.5563000    
 C    2.762900      -2.040200      0.2685000    
 C    2.708900      0.3631000      0.3005000    
 C    4.672500      -1.185100       1.072900    
 C    4.730600      -2.559500       1.065900    
 C   0.8214000       2.705100      0.1687000    
 C    1.105700      -3.891000      -1.827300    
 C    4.045700       2.167600     -0.4820000    
 C  -0.1045000       3.731600     -0.4221000    
 H   -3.369700      0.6013000       1.164100    
 H   -4.477900      0.9558000     -0.1623000    
 H   -5.437300     -0.9852000      -1.496400    
 H   -4.952500      -2.624700      -1.045500    
 H   -5.112500     -0.4511000       2.482200    
 H   -5.609700       1.171300       2.005700    
 H   -7.234000      -2.094800     -0.2357000    
 H   -6.130000      -2.496600       1.078300    
 H   -7.440200     -0.5398000       1.737400    
 H   -7.044600      0.2947000      0.2348000    
 H   -2.902600     -0.1796000      -1.559400    
 H   -2.816800      -1.923700      -1.521100    
 H   -1.444100      -1.923600      0.5125000    
 H   -1.462400     -0.1480000      0.5563000    
 H    5.453200     -0.5175000       1.408900    
 H  -9.0400003E-02   1.374000      -1.106800    
 H    5.484000      -3.275800       1.359400    
 H   0.5829000      -4.849600      -1.884500    
 H    2.172100      -4.062300      -2.005400    
 H   0.6990000      -3.224200      -2.594000    
 H    4.934000       1.565900     -0.6984000    
 H    3.443600       2.280500      -1.389200    
 H    4.369600       3.159000     -0.1534000    


%chk=000053404-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053404

0 1
F -1.199502 3.178538 -1.191992
F -1.102393 4.131867 0.866328
F 0.344164 4.791362 -0.749467
O -0.388591 -0.698722 -1.141818
O 3.551865 -3.208161 0.587009
O 0.651648 -3.246778 -0.528486
O 3.840261 1.446253 0.175719
O 1.334647 2.768835 1.373892
N -4.004003 -0.896084 -0.204568
N 0.842947 1.559567 -0.600518
C -4.220453 0.249033 0.718887
C -5.238865 -1.224417 -0.962894
C -5.343647 -0.055875 1.730058
C -6.394429 -1.576441 -0.003146
C -6.651953 -0.423283 0.993586
C -2.814271 -0.709578 -1.066932
C -1.552193 -1.172265 -0.325904
C 0.890981 -0.850312 -0.577663
C 1.614327 0.376097 -0.363345
C 1.454699 -2.122376 -0.313495
C 3.526654 -0.904496 0.369328
C 2.770004 -2.094041 0.207458
C 2.973315 0.363444 0.044515
C 4.833375 -1.304852 0.858733
C 4.811722 -2.675320 0.981142
C 0.715179 2.600050 0.293018
C 1.326018 -4.518792 -0.866884
C 3.747615 2.573160 -0.773221
C -0.308476 3.670813 -0.187009
H -3.277652 0.460011 1.256503
H -4.484711 1.175457 0.142568
H -5.555530 -0.367089 -1.614911
H -5.021688 -2.082013 -1.626606
H -5.027916 -0.901885 2.370498
H -5.496310 0.823643 2.384439
H -7.305943 -1.796624 -0.591679
H -6.123638 -2.493541 0.555103
H -7.438713 -0.706531 1.717964
H -7.024863 0.464593 0.441519
H -2.681684 0.352754 -1.389232
H -2.930262 -1.312787 -1.985252
H -1.508129 -2.269452 -0.237920
H -1.485253 -0.718192 0.681662
H 5.659330 -0.639272 1.095070
H 0.108672 1.443456 -1.311366
H 5.533423 -3.415178 1.315313
H 0.506172 -5.214426 -1.099042
H 1.921004 -4.891481 -0.017251
H 1.976992 -4.389060 -1.750955
H 3.420385 2.227379 -1.770409
H 3.068991 3.352116 -0.390602
H 4.770377 2.976693 -0.830244


