%chk=000178956.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178956

0 1
 F    9.484600      0.3393000      0.4003000    
 O   -3.987400       1.731800      0.8667000    
 O   -3.300900       4.399800     -0.5267000    
 O   -6.772300       1.516900      0.9852000    
 O   -2.296000      -4.348800      2.8700000E-02
 N   -2.402000      0.1705000      4.4300001E-02
 N  -7.6200001E-02  0.5272000     -6.5700002E-02
 N   -1.097900      -1.655000     -2.2299999E-02
 N   -4.546900     -0.9718000      0.1418000    
 N   -4.393800      -3.368300      0.1277000    
 N   -6.468400      -2.253100      0.2280000    
 C   -2.803600       1.572200      6.5800004E-02
 C   -3.119800       2.154100      -1.304500    
 C   -4.069300       3.274800     -0.9477000    
 C   -4.842500       2.711100      0.2399000    
 C   -6.131000       2.015100     -0.1758000    
 C   -3.214300     -0.9111000      7.9800002E-02
 C   -1.114900     -0.3272000     -1.8200001E-02
 C   -2.414500      -2.015700      3.8899999E-02
 C    3.562300      0.8729000      0.3485000    
 C    1.310000      0.2642000     -0.1328000    
 C    4.024400     -0.2998000     -0.2901000    
 C    4.727500       1.682400      0.8781000    
 C    5.469400     -0.3264000     -0.2186000    
 C    5.908900      0.8298000      0.4646000    
 C    2.212500       1.165800      0.4338000    
 C   -2.995100      -3.343400      6.2199999E-02
 C    1.763400     -0.9041000     -0.7695000    
 C    3.128700      -1.194200     -0.8522000    
 C   -5.097700      -2.251700      0.1639000    
 C    6.382600      -1.254100     -0.6910000    
 C    7.253500       1.073200      0.6833000    
 C    7.742800      -1.014200     -0.4733000    
 C    8.173900      0.1378000      0.2070000    
 H   -2.028700       2.151000      0.5771000    
 H   -3.632800       1.416100      -1.932700    
 H   -2.213000       2.479800      -1.823400    
 H   -4.708300       3.594300      -1.775900    
 H   -5.054900       3.476300      0.9952000    
 H   -5.972600       1.197900     -0.8835000    
 H   -6.811700       2.729800     -0.6496000    
 H   -2.784500       4.703100      -1.292900    
 H  -0.2461000       1.523200      4.4000000E-02
 H   -5.139200     -0.1641000      0.2464000    
 H    4.769400       2.663000      0.3952000    
 H    4.675200       1.770000       1.967100    
 H    1.874100       2.070300      0.9289000    
 H   -6.116400       1.030700       1.512300    
 H    1.074300      -1.599700      -1.240000    
 H    3.464300      -2.096600      -1.352300    
 H    6.065300      -2.147800      -1.217800    
 H    7.587800       1.961300       1.207800    
 H    8.478800      -1.727700     -0.8346000    
 H   -6.997400      -1.388200      0.2538000    
 H   -6.991900      -3.121400      0.2497000    


%chk=000178956-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178956

0 1
F 9.642381 0.569108 -0.381723
O -4.156077 1.758281 0.949048
O -3.345806 4.473651 -0.349971
O -6.761497 1.030202 0.393651
O -2.493528 -4.447038 -0.422265
N -2.455191 0.159112 0.466999
N -0.030724 0.429227 0.628710
N -1.145260 -1.712638 0.179973
N -4.688505 -0.956968 0.189749
N -4.565376 -3.329801 -0.306341
N -6.637932 -2.224838 -0.146961
C -2.807068 1.574578 0.369184
C -2.913721 2.121362 -1.078226
C -3.940823 3.266516 -0.940406
C -4.927740 2.719146 0.115386
C -6.135552 1.996805 -0.526946
C -3.307191 -0.927666 0.217214
C -1.131575 -0.400571 0.434852
C -2.508714 -2.060101 0.034697
C 3.646135 0.902278 0.424166
C 1.336619 0.121560 0.393142
C 4.081304 -0.361380 -0.080946
C 4.844576 1.824646 0.627035
C 5.546229 -0.327726 -0.233263
C 6.017446 0.958887 0.178352
C 2.288698 1.149679 0.659392
C -3.129421 -3.371474 -0.241124
C 1.764283 -1.146193 -0.094793
C 3.134749 -1.377520 -0.335720
C -5.255007 -2.217008 -0.094061
C 6.455929 -1.307711 -0.691878
C 7.385308 1.276157 0.135640
C 7.835956 -1.003101 -0.740755
C 8.260553 0.273785 -0.328264
H -2.091248 2.170600 0.966398
H -3.296747 1.327019 -1.743994
H -1.941683 2.462910 -1.470098
H -4.442184 3.501633 -1.901202
H -5.253222 3.534935 0.785579
H -5.825618 1.378181 -1.385913
H -6.877280 2.743646 -0.873059
H -2.708083 4.877625 -0.991148
H -0.199511 1.311788 1.112783
H -5.274934 -0.159664 0.486667
H 4.765149 2.751182 0.025170
H 4.950355 2.139731 1.683793
H 1.955566 2.124134 1.042863
H -7.031613 1.478171 1.234188
H 1.018509 -1.928071 -0.257230
H 3.448645 -2.357850 -0.711071
H 6.106969 -2.295999 -1.008583
H 7.779026 2.249532 0.443520
H 8.573846 -1.731703 -1.088697
H -7.183828 -1.369968 -0.050861
H -7.083874 -3.119779 -0.327753


