%chk=000042518.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042518

0 1
 F    2.177000       4.201700      -1.623300    
 N  -0.4153000      0.3855000       1.296300    
 N   -1.633800      0.3527000       2.023400    
 N   -3.838000      -1.066400     -0.6460000    
 C   -2.650100     -0.5275000       1.425000    
 C   -2.843400     -0.1820000     -4.8500001E-02
 C   7.7799998E-02   1.471300      0.6084000    
 C    1.291800       1.080400      3.9500002E-02
 C    1.509000     -0.2762000      0.4099000    
 C   0.4425000     -0.6753000       1.182200    
 C   -5.119100     -0.9462000      5.1600002E-02
 C   -4.004200     -0.7670000      -2.069000    
 C   -1.455700      4.8799999E-02   3.452200    
 C  -0.4525000       2.756400      0.4480000    
 C    2.599100      -1.154400      9.4099998E-02
 C    2.013600       2.016300     -0.7277000    
 C   -6.147000      -1.909200     -0.5182000    
 C   -2.684800     -0.8861000      -2.812900    
 C   0.2811000       3.667700     -0.3170000    
 C    1.495400       3.305500     -0.8967000    
 C    2.547300      -1.947500      -1.052600    
 C    3.712000      -1.215700      0.9337000    
 C    3.606800      -2.801300      -1.359400    
 C    4.771500      -2.069400      0.6266000    
 C    4.718800      -2.862200     -0.5198000    
 H   -2.374900      -1.584300       1.539500    
 H   -3.562700     -0.3486000       1.999600    
 H   -3.129900      0.8724000     -0.1609000    
 H   -1.889500     -0.3294000     -0.5580000    
 H   0.2278000      -1.626600       1.653000    
 H   -5.034100      -1.244200       1.099600    
 H   -5.510200      7.8500003E-02  2.4599999E-02
 H   -4.675000      -1.493300      -2.539300    
 H   -4.429300      0.2315000      -2.231500    
 H   -2.397200      0.1949000       3.993100    
 H  -0.7254000      0.7324000       3.900000    
 H   -1.117000     -0.9793000       3.622000    
 H   -1.397500       3.044300      0.8964000    
 H    2.961800       1.750300      -1.186100    
 H   -6.535000      -1.581600      -1.487600    
 H   -5.742800      -2.922200     -0.6199000    
 H   -7.008700      -1.968700      0.1567000    
 H   -2.024500     -3.0900000E-02  -2.636900    
 H   -2.153300      -1.809600      -2.558500    
 H   -2.875700     -0.9097000      -3.892000    
 H  -0.1024000       4.674400     -0.4612000    
 H    1.687900      -1.911900      -1.718200    
 H    3.769600     -0.6041000       1.831200    
 H    3.566000      -3.418500      -2.252100    
 H    5.637800      -2.116900       1.280100    
 H    5.543900      -3.526900     -0.7588000    


%chk=000042518-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042518

0 1
F 2.370037 4.559094 -0.844605
N -0.450673 0.320137 1.356904
N -1.705185 0.266387 2.035087
N -4.044254 -0.857987 -0.764441
C -2.699116 -0.577910 1.309961
C -3.019539 -0.021907 -0.092175
C 0.117313 1.512788 0.885647
C 1.380751 1.174321 0.281850
C 1.553599 -0.270171 0.405594
C 0.412154 -0.747455 1.063784
C -5.433012 -0.441656 -0.428341
C -3.812943 -1.016542 -2.225858
C -1.537119 -0.091920 3.468492
C -0.386649 2.828739 0.936761
C 2.687168 -1.099319 -0.050664
C 2.146518 2.211813 -0.318692
C -6.454925 -1.588261 -0.548917
C -2.645870 -1.970355 -2.545346
C 0.392366 3.848402 0.357196
C 1.624915 3.507889 -0.255590
C 2.476296 -2.430224 -0.512137
C 4.022236 -0.604782 -0.027064
C 3.556571 -3.238577 -0.923100
C 5.102198 -1.410182 -0.447640
C 4.877495 -2.731888 -0.897470
H -2.368542 -1.636830 1.207288
H -3.613689 -0.580500 1.931398
H -3.333538 1.044518 0.000631
H -2.094609 -0.026922 -0.695437
H 0.177686 -1.763572 1.375903
H -5.431785 -0.081067 0.617881
H -5.760662 0.425510 -1.056542
H -4.736179 -1.431829 -2.669330
H -3.640127 -0.028164 -2.721916
H -2.503727 0.056520 3.979695
H -0.792257 0.581250 3.922502
H -1.211299 -1.145018 3.628443
H -1.350045 3.037550 1.409106
H 3.093694 2.025186 -0.830630
H -6.521005 -1.974820 -1.581757
H -6.165102 -2.426426 0.108561
H -7.463598 -1.239294 -0.258535
H -1.688203 -1.602184 -2.133614
H -2.842362 -2.968013 -2.115156
H -2.519192 -2.072987 -3.639269
H 0.066241 4.892316 0.361624
H 1.453154 -2.820754 -0.570805
H 4.218286 0.400670 0.360525
H 3.367993 -4.258744 -1.276821
H 6.121461 -1.008657 -0.414765
H 5.716572 -3.356273 -1.223617


