%chk=000044066.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044066

0 1
 N   -5.622600      0.4558000      9.3999999E-03
 N   -1.943200       1.023200     -0.1581000    
 C    3.783500     -0.4585000       1.704700    
 C    2.435600      -1.143200       1.934800    
 C    1.640900      0.3179000     -0.4264000    
 C    3.853400      0.7364000      0.7701000    
 C    1.962000      -1.876200      0.7059000    
 C    2.888100       1.094400     -0.1971000    
 C    1.581000      -1.159000     -0.4403000    
 C   -4.349300       1.120100      0.2657000    
 C   0.4660000      0.9686000     -0.5355000    
 C   -3.211600      0.3508000     -0.3988000    
 C  -0.8406000      0.2850000     -0.7656000    
 C    5.025600       1.518200      0.8766000    
 C    1.903900      -3.277100      0.6922000    
 C    3.139400       2.211800      -1.024300    
 C    1.155400      -1.851400      -1.584100    
 C   -6.725200       1.206300      0.6123000    
 C   -5.600700     -0.9149000      0.5224000    
 C    5.244200       2.627300      6.2300000E-02
 C    1.475400      -3.956900     -0.4478000    
 C    4.299900       2.973600     -0.8913000    
 C    1.102500      -3.245100      -1.585000    
 C   -6.766400       2.633600      9.3000002E-02
 C   -6.897000      -1.640600      0.2049000    
 H    4.509600      -1.201000       1.346400    
 H    4.132500     -0.1234000       2.691200    
 H    1.673400     -0.4238000       2.260000    
 H    2.544900      -1.855400       2.762800    
 H   -4.163600       1.219500       1.343900    
 H   -4.332800       2.126600     -0.1665000    
 H   0.4398000       2.056400     -0.4999000    
 H   -3.398000      0.2675000      -1.476800    
 H   -3.109300     -0.6555000      1.4900000E-02
 H   -1.009800      0.2284000      -1.847600    
 H  -0.8652000     -0.7260000     -0.3496000    
 H   -1.788600       1.097900      0.8477000    
 H    5.787800       1.256000       1.608400    
 H    2.195600      -3.849400       1.569300    
 H    2.432700       2.499000      -1.801200    
 H   0.8779000      -1.317900      -2.490200    
 H   -7.688200      0.7639000      0.3372000    
 H   -6.664700       1.215200       1.707900    
 H   -4.837300      -1.517800      2.4900001E-02
 H   -5.406000     -0.9499000       1.601400    
 H    6.153800       3.210500      0.1687000    
 H    1.435600      -5.042300     -0.4493000    
 H    4.465900       3.829000      -1.539200    
 H   0.7747000      -3.775100      -2.474500    
 H   -7.724300       3.092800      0.3633000    
 H   -6.684700       2.673300     -0.9987000    
 H   -5.987500       3.263100      0.5342000    
 H   -6.771400      -2.714300      0.3866000    
 H   -7.184300      -1.519900     -0.8454000    
 H   -7.725900      -1.314100      0.8406000    


%chk=000044066-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044066

0 1
N -5.759941 0.560514 0.350959
N -1.980644 0.781539 -0.003551
C 3.897623 -0.552942 1.744709
C 2.593160 -1.377710 1.868053
C 1.624246 0.213942 -0.365294
C 3.877370 0.692307 0.850625
C 2.234106 -2.062551 0.563232
C 2.850877 1.041229 -0.083922
C 1.779434 -1.269771 -0.528980
C -4.377092 1.055883 0.566014
C 0.414158 0.835092 -0.537504
C -3.348932 0.310473 -0.309088
C -0.917323 0.190917 -0.853631
C 4.987532 1.567829 0.998966
C 2.365571 -3.461836 0.398106
C 2.999917 2.250043 -0.829510
C 1.471939 -1.898203 -1.762365
C -6.790372 1.619125 0.527035
C -6.053880 -0.667384 1.139723
C 5.115758 2.759889 0.260677
C 2.059158 -4.082034 -0.835140
C 4.105417 3.105139 -0.665503
C 1.612319 -3.295203 -1.920605
C -6.851066 2.599235 -0.660207
C -7.153284 -1.541197 0.505665
H 4.700321 -1.229151 1.383611
H 4.205212 -0.231696 2.759766
H 1.770531 -0.709905 2.190996
H 2.731872 -2.133365 2.663649
H -4.075070 0.978664 1.643707
H -4.326175 2.127376 0.306525
H 0.351828 1.922928 -0.391936
H -3.569303 0.528657 -1.370805
H -3.470821 -0.794341 -0.179400
H -1.191073 0.410270 -1.908446
H -0.850109 -0.919169 -0.771839
H -1.755943 0.671377 0.995965
H 5.766774 1.299367 1.724351
H 2.706958 -4.069960 1.245027
H 2.236836 2.496160 -1.575636
H 1.138647 -1.280721 -2.604452
H -7.772613 1.120631 0.619963
H -6.633167 2.186833 1.479950
H -5.122998 -1.261616 1.195916
H -6.331074 -0.415705 2.195917
H 5.988946 3.406357 0.402244
H 2.167753 -5.166701 -0.947505
H 4.185057 4.020245 -1.262645
H 1.375976 -3.763821 -2.882420
H -7.643110 3.354794 -0.499510
H -7.067430 2.050048 -1.593033
H -5.896655 3.139120 -0.797869
H -7.318634 -2.454577 1.107624
H -6.857762 -1.836718 -0.516020
H -8.118022 -1.006307 0.438340


